data_2m2x_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 2m2x _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.77 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 121.795 0.807 . . . . 0.0 111.838 179.455 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -76.8 100.05 5.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.723 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.14 -29.0 7.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 C--N 1.315 -0.918 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 121.44 0.638 . . . . 0.0 109.653 -179.255 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.311 -1.068 0 CA-C-O 123.069 1.414 . . . . 0.0 110.898 176.142 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 . . . . . 0 N--CA 1.44 -0.966 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -61.54 105.52 0.54 Allowed 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 122.912 0.485 . . . . 0.0 111.57 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.45 -21.39 41.22 Favored Glycine 0 CA--C 1.505 -0.568 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.307 -1.266 0 CA-C-O 122.415 1.102 . . . . 0.0 108.231 -178.553 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 . . . . . 0 N--CA 1.426 -1.668 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.484 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.5 mmp_? . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 121.234 0.54 . . . . 0.0 109.788 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.44 -0.933 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -178.806 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 . . . . . 0 N--CA 1.435 -1.183 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -79.45 96.85 6.18 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.11 -17.84 4.53 Favored Glycine 0 N--CA 1.427 -1.966 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.659 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 121.571 0.7 . . . . 0.0 110.842 -179.587 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 123.672 0.789 . . . . 0.0 111.817 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.436 0 CA-C-O 121.214 0.341 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.247 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -79.95 73.27 6.73 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-O 122.277 1.036 . . . . 0.0 109.958 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 -30.4 0.28 Allowed Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 113.364 -1.744 . . . . 0.0 108.828 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.24 0.574 0 CA-C-O 121.82 0.819 . . . . 0.0 110.671 177.706 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 . . . . . 0 C--O 1.218 -0.595 0 N-CA-C 111.246 0.091 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 169.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.442 -0.858 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.588 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 . . . . . 0 N--CA 1.423 -1.815 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -66.88 100.41 0.72 Allowed 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.488 0.661 . . . . 0.0 112.398 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 -9.43 59.86 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.243 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.243 0.734 0 CA-C-O 122.343 1.068 . . . . 0.0 108.162 -178.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 124.655 1.182 . . . . 0.0 112.318 175.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.633 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--N 1.316 -0.872 0 CA-C-O 121.338 0.589 . . . . 0.0 109.589 -178.118 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 25.8 mmm180 . . . . . 0 N--CA 1.423 -1.778 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -75.44 102.09 5.05 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.64 0.733 . . . . 0.0 110.01 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.99 -17.85 19.52 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.573 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 29.4 t . . . . . 0 C--O 1.245 0.839 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 . . . . . 0 N--CA 1.428 -1.553 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 121.339 0.59 . . . . 0.0 110.051 -179.561 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.311 -1.096 0 CA-C-O 122.08 0.943 . . . . 0.0 110.35 177.822 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 . . . . . 0 N--CA 1.416 -2.131 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -70.67 87.14 0.67 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 123.997 0.81 . . . . 0.0 109.193 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.23 -27.22 1.71 Allowed Glycine 0 N--CA 1.425 -2.071 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.165 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.246 0.885 0 CA-C-O 121.339 0.59 . . . . 0.0 110.326 -178.249 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.833 -179.474 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.012 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.435 -1.198 0 CA-C-O 121.59 0.71 . . . . 0.0 109.354 178.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 N--CA 1.425 -1.677 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -72.58 103.22 3.48 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.598 0.713 . . . . 0.0 109.323 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.97 4.05 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.315 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 122.889 1.328 . . . . 0.0 110.099 178.616 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 . . . . . 0 N--CA 1.427 -1.607 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.302 -1.478 0 CA-C-O 122.051 0.929 . . . . 0.0 110.86 -177.4 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.109 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.581 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.3 t . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 . . . . . 0 N--CA 1.427 -1.582 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.0 97.96 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 124.828 1.33 . . . . 0.0 112.191 -172.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.43 -20.68 7.38 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.635 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 121.889 0.852 . . . . 0.0 111.487 -177.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.0 mtm180 . . . . . 0 N--CA 1.424 -1.761 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 124.119 0.887 . . . . 0.0 110.09 -179.319 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.071 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 27.0 mmm180 . . . . . 0 N--CA 1.42 -1.963 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.73 82.24 4.14 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.37 1.081 . . . . 0.0 110.279 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.98 -51.19 0.44 Allowed Glycine 0 N--CA 1.422 -2.265 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 58.6 t . . . . . 0 C--N 1.311 -1.101 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.425 -1.719 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.292 -1.913 0 C-N-CA 124.48 1.112 . . . . 0.0 110.056 -176.669 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 122.07 0.938 . . . . 0.0 111.115 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 . . . . . 0 N--CA 1.421 -1.918 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -82.37 75.28 9.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.684 0.754 . . . . 0.0 110.257 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.26 -52.96 0.68 Allowed Glycine 0 N--CA 1.427 -1.933 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.396 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.308 -1.231 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.266 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.428 -1.552 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 121.12 0.486 . . . . 0.0 109.921 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.078 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.317 -0.805 0 CA-C-O 122.177 0.989 . . . . 0.0 110.227 175.673 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -82.31 79.45 8.78 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.974 0.892 . . . . 0.0 110.65 -172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.82 -45.98 0.82 Allowed Glycine 0 N--CA 1.428 -1.844 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.805 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 . . . . . 0 CA--C 1.507 -0.686 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 121.893 0.854 . . . . 0.0 109.878 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.557 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 121.87 0.843 . . . . 0.0 111.677 -177.407 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 . . . . . 0 N--CA 1.429 -1.494 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -82.45 88.71 6.6 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.57 -53.22 0.81 Allowed Glycine 0 C--N 1.291 -1.918 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.303 -1.414 0 CA-C-O 121.974 0.892 . . . . 0.0 108.642 177.373 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 . . . . . 0 N--CA 1.416 -2.143 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 . . . . . 0 C--N 1.305 -1.359 0 O-C-N 123.817 0.698 . . . . 0.0 109.59 -177.887 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.232 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.429 -1.478 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 . . . . . 0 N--CA 1.417 -2.122 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -60.11 106.41 0.51 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.968 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 -11.84 41.16 Favored Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.104 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 123.46 1.6 . . . . 0.0 110.064 -177.777 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 . . . . . 0 N--CA 1.438 -1.067 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 . . . . . 0 C--O 1.242 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.894 174.521 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.867 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.435 -1.217 0 CA-C-O 122.054 0.931 . . . . 0.0 109.058 176.335 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 . . . . . 0 CA--C 1.49 -1.333 0 CA-C-O 121.28 0.562 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.31 78.61 3.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.123 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.94 -31.82 0.51 Allowed Glycine 0 N--CA 1.42 -2.391 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.894 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.439 -0.997 0 CA-C-O 122.336 1.065 . . . . 0.0 111.294 -179.108 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 . . . . . 0 N--CA 1.429 -1.513 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 C--N 1.289 -2.043 0 CA-C-O 122.01 0.909 . . . . 0.0 110.659 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 122.011 0.91 . . . . 0.0 110.846 -178.083 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 . . . . . 0 N--CA 1.419 -2.013 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -77.14 83.98 3.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.592 0.71 . . . . 0.0 110.324 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.24 -34.54 1.09 Allowed Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.995 0.903 . . . . 0.0 109.064 177.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.04 0.448 . . . . 0.0 110.896 -175.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.758 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.243 0.726 0 C-N-CA 125.264 1.426 . . . . 0.0 109.426 177.159 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 N--CA 1.424 -1.728 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -62.0 102.56 0.29 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.9 -33.28 3.42 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.439 -0.995 0 CA-C-O 122.475 1.131 . . . . 0.0 110.567 -177.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 104.203 -2.518 . . . . 0.0 104.203 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.19 0.995 . . . . 0.0 112.238 -175.631 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.426 -1.643 0 CA-C-O 122.183 0.992 . . . . 0.0 110.048 177.477 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 . . . . . 0 CA--C 1.498 -1.032 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.14 96.17 1.75 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.561 0.696 . . . . 0.0 110.582 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.93 -31.44 2.09 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.242 0.687 0 C-N-CA 124.535 1.134 . . . . 0.0 110.604 179.381 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 . . . . . 0 C--N 1.324 -0.522 0 C-N-CA 124.628 1.171 . . . . 0.0 113.216 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.454 0 N-CA-C 112.301 -0.319 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.31 -1.112 0 CA-C-O 122.098 0.951 . . . . 0.0 112.804 -177.199 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -76.42 95.27 3.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.185 0.517 . . . . 0.0 109.784 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.39 -59.63 0.41 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 N--CA 1.437 -1.12 0 CA-C-O 121.534 0.683 . . . . 0.0 109.922 177.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 . . . . . 0 N--CA 1.424 -1.726 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 . . . . . 0 C--O 1.239 0.507 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.751 -179.236 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.34 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.422 -1.828 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.211 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 . . . . . 0 N--CA 1.44 -0.939 0 CA-C-O 122.734 1.254 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.92 83.01 6.75 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.524 -1.671 . . . . 0.0 108.665 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.18 -39.12 1.2 Allowed Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 179.34 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--O 1.237 0.414 0 C-N-CA 124.597 1.159 . . . . 0.0 109.652 -177.605 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.77 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.26 103.19 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.795 0.807 . . . . 0.0 111.838 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -102.45 153.21 20.26 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.875 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.436 ' H ' ' HB3' ' A' ' 13' ' ' ARG . 21.9 t -128.73 123.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -112.95 164.0 13.98 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -76.8 100.05 5.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.723 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.14 -29.0 7.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t -124.39 94.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -79.99 93.57 5.75 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 122.364 1.078 . . . . 0.0 113.73 -176.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 t -117.95 107.15 21.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.432 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.68 156.83 25.19 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 121.44 0.638 . . . . 0.0 109.653 -179.255 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 77.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-O 123.069 1.414 . . . . 0.0 110.898 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -104.18 104.81 14.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.15 135.82 54.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 123.207 0.603 . . . . 0.0 110.574 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -121.13 148.22 44.49 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -61.54 105.52 0.54 Allowed 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 122.912 0.485 . . . . 0.0 111.57 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.45 -21.39 41.22 Favored Glycine 0 CA--C 1.505 -0.568 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.69 64.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-O 122.415 1.102 . . . . 0.0 108.231 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -121.32 138.27 54.32 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.909 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -104.31 118.22 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.435 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -118.2 146.42 44.24 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.5 mmp_? . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 121.234 0.54 . . . . 0.0 109.788 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.77 96.02 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.52 94.46 6.25 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.04 145.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -134.11 164.07 28.16 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -79.45 96.85 6.18 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.11 -17.84 4.53 Favored Glycine 0 N--CA 1.427 -1.966 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.659 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 115.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.571 0.7 . . . . 0.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -74.61 93.45 2.53 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.514 0.673 . . . . 0.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.1 t -144.8 124.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.928 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.65 103.49 9.45 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 123.672 0.789 . . . . 0.0 111.817 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.436 0 CA-C-O 121.214 0.341 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.61 86.4 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -80.76 93.69 6.26 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 m -143.94 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.897 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.35 147.88 26.55 Favored 'General case' 0 N--CA 1.415 -2.224 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -79.95 73.27 6.73 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-O 122.277 1.036 . . . . 0.0 109.958 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 -30.4 0.28 Allowed Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 113.364 -1.744 . . . . 0.0 108.828 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.0 107.09 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 121.82 0.819 . . . . 0.0 110.671 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -92.93 94.1 8.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -113.15 164.35 9.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -141.54 132.47 25.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 169.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t -83.31 92.7 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.423 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -50.14 118.99 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.516 1.526 . . . . 0.0 113.342 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.6 t -131.12 126.23 58.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.732 -176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -93.58 146.38 23.85 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -66.88 100.41 0.72 Allowed 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.488 0.661 . . . . 0.0 112.398 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 -9.43 59.86 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.243 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.46 56.4 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-O 122.343 1.068 . . . . 0.0 108.162 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -64.22 110.33 2.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.297 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 7.1 p -156.73 150.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -130.46 110.88 11.79 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.971 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 124.655 1.182 . . . . 0.0 112.318 175.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.633 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.16 89.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.338 0.589 . . . . 0.0 109.589 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.79 120.46 20.36 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.148 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 m -86.82 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 25.8 mmm180 -108.72 156.09 19.99 Favored 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -75.44 102.09 5.05 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.64 0.733 . . . . 0.0 110.01 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.99 -17.85 19.52 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.573 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 29.4 t -132.85 92.17 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -176.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -56.69 104.46 0.15 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.347 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.04 106.02 19.93 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.885 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -110.88 127.88 55.6 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 121.339 0.59 . . . . 0.0 110.051 -179.561 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.28 82.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-O 122.08 0.943 . . . . 0.0 110.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -127.3 94.19 3.93 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -142.82 132.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.021 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.378 -174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -97.85 143.78 28.1 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -70.67 87.14 0.67 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 123.997 0.81 . . . . 0.0 109.193 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.23 -27.22 1.71 Allowed Glycine 0 N--CA 1.425 -2.071 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.165 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.62 128.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.246 0.885 0 CA-C-O 121.339 0.59 . . . . 0.0 110.326 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -122.42 131.13 53.73 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.78 115.85 31.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -132.65 155.02 49.51 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.582 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.833 -179.474 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.012 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.74 114.27 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 CA-C-O 121.59 0.71 . . . . 0.0 109.354 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 15.2 ptm180 -66.45 99.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.759 0.79 . . . . 0.0 111.571 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.43 129.05 55.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.136 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.732 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -106.83 120.54 42.29 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-N 113.887 -1.506 . . . . 0.0 107.434 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -72.58 103.22 3.48 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.598 0.713 . . . . 0.0 109.323 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.97 4.05 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.315 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.33 39.83 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 122.889 1.328 . . . . 0.0 110.099 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 99.6 mtt180 -64.97 122.51 17.17 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.066 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 t -85.71 119.3 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -119.48 143.58 47.46 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.302 -1.478 0 CA-C-O 122.051 0.929 . . . . 0.0 110.86 -177.4 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.109 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.581 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.3 t -128.11 90.42 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.21 120.97 11.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.382 0.61 . . . . 0.0 109.758 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.14 142.72 16.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.452 ' HA ' ' CB ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -91.36 124.13 35.32 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.0 97.96 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 124.828 1.33 . . . . 0.0 112.191 -172.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.43 -20.68 7.38 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.635 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.56 29.96 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 121.889 0.852 . . . . 0.0 111.487 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -141.92 130.95 23.18 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -139.73 129.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.0 mtm180 -98.72 152.95 19.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 124.119 0.887 . . . . 0.0 110.09 -179.319 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.071 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -137.7 117.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -97.48 94.0 6.77 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.418 0.628 . . . . 0.0 109.574 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.23 134.17 31.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.691 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 27.0 mmm180 -99.36 139.42 35.04 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.73 82.24 4.14 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.37 1.081 . . . . 0.0 110.279 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.98 -51.19 0.44 Allowed Glycine 0 N--CA 1.422 -2.265 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 58.6 t -127.58 103.99 11.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -64.28 158.11 24.21 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.801 0.81 . . . . 0.0 112.218 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -58.01 139.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 123.589 0.555 . . . . 0.0 110.758 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -101.06 154.39 18.76 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.292 -1.913 0 C-N-CA 124.48 1.112 . . . . 0.0 110.056 -176.669 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -125.54 98.46 5.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 122.07 0.938 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -88.61 159.54 17.83 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.74 140.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 124.572 1.149 . . . . 0.0 111.7 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -94.63 164.09 13.11 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -82.37 75.28 9.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.684 0.754 . . . . 0.0 110.257 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.26 -52.96 0.68 Allowed Glycine 0 N--CA 1.427 -1.933 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.396 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.88 90.14 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -134.06 135.66 43.46 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 104.036 -2.579 . . . . 0.0 104.036 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.71 125.38 61.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.39 154.07 33.0 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 121.12 0.486 . . . . 0.0 109.921 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.078 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.55 78.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 122.177 0.989 . . . . 0.0 110.227 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -70.28 93.4 0.84 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 122.027 0.918 . . . . 0.0 109.856 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 t -132.76 94.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 N-CA-C 106.193 -1.781 . . . . 0.0 106.193 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -116.24 150.96 36.71 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -82.31 79.45 8.78 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.974 0.892 . . . . 0.0 110.65 -172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.82 -45.98 0.82 Allowed Glycine 0 N--CA 1.428 -1.844 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 t -114.91 77.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -118.62 93.34 4.08 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 122.076 0.941 . . . . 0.0 109.177 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.59 152.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -129.06 142.1 51.01 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 121.893 0.854 . . . . 0.0 109.878 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.557 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.63 84.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.87 0.843 . . . . 0.0 111.677 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.79 113.36 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.679 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.3 p -117.99 151.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.515 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -109.11 160.42 16.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -82.45 88.71 6.6 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.57 -53.22 0.81 Allowed Glycine 0 C--N 1.291 -1.918 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.37 85.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 CA-C-O 121.974 0.892 . . . . 0.0 108.642 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -51.18 129.09 23.63 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.083 0.944 . . . . 0.0 112.545 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.68 143.48 15.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -100.35 124.64 46.08 Favored 'General case' 0 N--CA 1.416 -2.143 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 . . . . . 0 C--N 1.305 -1.359 0 O-C-N 123.817 0.698 . . . . 0.0 109.59 -177.887 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.232 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.408 ' HB ' HH11 ' A' ' 13' ' ' ARG . 46.7 t -87.78 89.24 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 27.2 tpt180 -51.01 119.71 4.21 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.852 0.834 . . . . 0.0 110.432 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.89 144.2 12.31 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 O-C-N 123.866 0.729 . . . . 0.0 109.669 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -98.44 124.96 43.44 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -60.11 106.41 0.51 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.968 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 -11.84 41.16 Favored Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.104 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -139.53 33.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 123.46 1.6 . . . . 0.0 110.064 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 95.1 mtt180 -118.98 157.54 27.53 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -138.65 138.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 113.536 -1.665 . . . . 0.0 107.436 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -123.14 101.04 7.17 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 . . . . . 0 C--O 1.242 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.894 174.521 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.867 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.75 104.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-O 122.054 0.931 . . . . 0.0 109.058 176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -72.66 94.14 1.7 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-O 121.918 0.866 . . . . 0.0 112.639 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.52 94.16 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.341 1.067 . . . . 0.0 111.745 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -149.13 114.17 5.45 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-O 121.28 0.562 . . . . 0.0 109.759 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.31 78.61 3.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.123 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.94 -31.82 0.51 Allowed Glycine 0 N--CA 1.42 -2.391 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.894 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.69 114.75 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 122.336 1.065 . . . . 0.0 111.294 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -63.69 94.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.536 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -108.29 121.14 60.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 121.344 0.593 . . . . 0.0 112.139 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -112.61 145.92 39.51 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 C--N 1.289 -2.043 0 CA-C-O 122.01 0.909 . . . . 0.0 110.659 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.63 77.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 122.011 0.91 . . . . 0.0 110.846 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -70.91 108.86 4.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.692 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.5 m -103.36 164.81 3.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.595 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -105.56 147.94 27.84 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.168 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -77.14 83.98 3.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.592 0.71 . . . . 0.0 110.324 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.24 -34.54 1.09 Allowed Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -141.39 104.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-O 121.995 0.903 . . . . 0.0 109.064 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -67.05 164.13 18.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.888 0.851 . . . . 0.0 112.992 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.61 135.77 27.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 CA-C-O 121.058 0.456 . . . . 0.0 110.024 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -121.84 134.95 54.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.04 0.448 . . . . 0.0 110.896 -175.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.758 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.13 77.94 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 125.264 1.426 . . . . 0.0 109.426 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -117.19 101.39 8.42 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-O 121.143 0.497 . . . . 0.0 111.692 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' ABA . 23.8 m -132.59 148.68 31.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.812 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -99.99 141.12 33.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -62.0 102.56 0.29 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.9 -33.28 3.42 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.41 98.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-O 122.475 1.131 . . . . 0.0 110.567 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.4 146.58 53.9 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.557 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.73 129.9 5.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.596 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.42 113.26 21.57 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 104.203 -2.518 . . . . 0.0 104.203 170.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.19 0.995 . . . . 0.0 112.238 -175.631 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.59 79.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.426 -1.643 0 CA-C-O 122.183 0.992 . . . . 0.0 110.048 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -125.35 129.45 49.95 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.4 136.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -131.82 145.89 51.83 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.14 96.17 1.75 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.561 0.696 . . . . 0.0 110.582 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.93 -31.44 2.09 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.9 m -146.41 77.54 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 124.535 1.134 . . . . 0.0 110.604 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.3 tpm_? -120.52 146.13 46.61 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.007 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.04 94.3 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-O 122.015 0.912 . . . . 0.0 111.68 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -28.32 114.55 0.08 Allowed 'General case' 0 C--N 1.28 -2.416 0 C-N-CA 127.571 2.348 . . . . 0.0 112.396 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 . . . . . 0 C--N 1.324 -0.522 0 C-N-CA 124.628 1.171 . . . . 0.0 113.216 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.454 0 N-CA-C 112.301 -0.319 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 108.5 9.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-O 122.098 0.951 . . . . 0.0 112.804 -177.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.56 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -142.72 133.01 24.73 Favored 'General case' 0 C--N 1.282 -2.345 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.198 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.83 135.31 20.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 123.76 0.662 . . . . 0.0 110.235 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -128.8 145.68 51.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -76.42 95.27 3.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.185 0.517 . . . . 0.0 109.784 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.39 -59.63 0.41 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.67 100.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.534 0.683 . . . . 0.0 109.922 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.83 126.88 30.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.144 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.56 ' O ' ' HB3' ' A' ' 3' ' ' ABA . 11.7 m -87.48 92.83 3.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.614 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -113.15 103.12 11.04 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.54 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 . . . . . 0 C--O 1.239 0.507 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.751 -179.236 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.34 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p -151.56 125.13 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.828 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -117.71 129.44 55.72 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.053 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.17 114.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.171 0.986 . . . . 0.0 112.772 -177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 -58.81 154.04 15.76 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 122.734 1.254 . . . . 0.0 112.533 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.92 83.01 6.75 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.524 -1.671 . . . . 0.0 108.665 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.18 -39.12 1.2 Allowed Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -125.6 88.56 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . 0.498 ' HA ' ' HB2' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -76.97 110.08 11.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-O 121.604 0.716 . . . . 0.0 111.714 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.89 164.89 2.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.847 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HB2' ' HB2' ' A' ' 3' ' ' ABA . 86.2 mtt180 -116.34 121.23 41.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--O 1.237 0.414 0 C-N-CA 124.597 1.159 . . . . 0.0 109.652 -177.605 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.77 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 121.795 0.807 . . . . 0.0 111.838 179.455 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -76.8 100.05 5.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.723 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.14 -29.0 7.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 C--N 1.315 -0.918 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.895 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 121.44 0.638 . . . . 0.0 109.653 -179.255 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.311 -1.068 0 CA-C-O 123.069 1.414 . . . . 0.0 110.898 176.142 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 . . . . . 0 N--CA 1.44 -0.966 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -61.54 105.52 0.54 Allowed 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 122.912 0.485 . . . . 0.0 111.57 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.45 -21.39 41.22 Favored Glycine 0 CA--C 1.505 -0.568 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.307 -1.266 0 CA-C-O 122.415 1.102 . . . . 0.0 108.231 -178.553 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 . . . . . 0 N--CA 1.426 -1.668 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.5 mmp_? . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 121.234 0.54 . . . . 0.0 109.788 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.44 -0.933 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -178.806 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 . . . . . 0 N--CA 1.435 -1.183 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -79.45 96.85 6.18 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.11 -17.84 4.53 Favored Glycine 0 N--CA 1.427 -1.966 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.659 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 121.571 0.7 . . . . 0.0 110.842 -179.587 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 123.672 0.789 . . . . 0.0 111.817 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.436 0 CA-C-O 121.214 0.341 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.247 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -79.95 73.27 6.73 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-O 122.277 1.036 . . . . 0.0 109.958 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 -30.4 0.28 Allowed Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 113.364 -1.744 . . . . 0.0 108.828 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.24 0.574 0 CA-C-O 121.82 0.819 . . . . 0.0 110.671 177.706 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 . . . . . 0 C--O 1.218 -0.595 0 N-CA-C 111.246 0.091 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 169.872 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.442 -0.858 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.588 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.407 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 78.2 mtp180 . . . . . 0 N--CA 1.423 -1.815 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -66.88 100.41 0.72 Allowed 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.488 0.661 . . . . 0.0 112.398 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 -9.43 59.86 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.243 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 21.3 t . . . . . 0 C--O 1.243 0.734 0 CA-C-O 122.343 1.068 . . . . 0.0 108.162 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 124.655 1.182 . . . . 0.0 112.318 175.741 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.633 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 17' ' ' ARG . 62.0 t . . . . . 0 C--N 1.316 -0.872 0 CA-C-O 121.338 0.589 . . . . 0.0 109.589 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.497 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 25.8 mmm180 . . . . . 0 N--CA 1.423 -1.778 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -75.44 102.09 5.05 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.64 0.733 . . . . 0.0 110.01 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.99 -17.85 19.52 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.573 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 29.4 t . . . . . 0 C--O 1.245 0.839 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB2' ' HB ' ' A' ' 2' ' ' VAL . 24.7 mmt180 . . . . . 0 N--CA 1.428 -1.553 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 121.339 0.59 . . . . 0.0 110.051 -179.561 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 17' ' ' ARG . 6.0 m . . . . . 0 C--N 1.311 -1.096 0 CA-C-O 122.08 0.943 . . . . 0.0 110.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 . . . . . 0 N--CA 1.416 -2.131 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -70.67 87.14 0.67 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 123.997 0.81 . . . . 0.0 109.193 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.23 -27.22 1.71 Allowed Glycine 0 N--CA 1.425 -2.071 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.165 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.246 0.885 0 CA-C-O 121.339 0.59 . . . . 0.0 110.326 -178.249 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB2' HG23 ' A' ' 2' ' ' VAL . 74.3 mtp180 . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.833 -179.474 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.012 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.435 -1.198 0 CA-C-O 121.59 0.71 . . . . 0.0 109.354 178.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 N--CA 1.425 -1.677 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -72.58 103.22 3.48 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.598 0.713 . . . . 0.0 109.323 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.97 4.05 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.315 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 122.889 1.328 . . . . 0.0 110.099 178.616 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 . . . . . 0 N--CA 1.427 -1.607 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.302 -1.478 0 CA-C-O 122.051 0.929 . . . . 0.0 110.86 -177.4 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.109 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.561 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.3 t . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 . . . . . 0 N--CA 1.427 -1.582 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.0 97.96 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 124.828 1.33 . . . . 0.0 112.191 -172.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.43 -20.68 7.38 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.635 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 121.889 0.852 . . . . 0.0 111.487 -177.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.0 mtm180 . . . . . 0 N--CA 1.424 -1.761 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 124.119 0.887 . . . . 0.0 110.09 -179.319 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.071 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 27.0 mmm180 . . . . . 0 N--CA 1.42 -1.963 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.73 82.24 4.14 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.37 1.081 . . . . 0.0 110.279 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.98 -51.19 0.44 Allowed Glycine 0 N--CA 1.422 -2.265 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 58.6 t . . . . . 0 C--N 1.311 -1.101 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.425 -1.719 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.292 -1.913 0 C-N-CA 124.48 1.112 . . . . 0.0 110.056 -176.669 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 122.07 0.938 . . . . 0.0 111.115 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 . . . . . 0 N--CA 1.421 -1.918 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -82.37 75.28 9.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.684 0.754 . . . . 0.0 110.257 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.26 -52.96 0.68 Allowed Glycine 0 N--CA 1.427 -1.933 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.396 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.308 -1.231 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.266 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.428 -1.552 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 121.12 0.486 . . . . 0.0 109.921 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.078 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.317 -0.805 0 CA-C-O 122.177 0.989 . . . . 0.0 110.227 175.673 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -82.31 79.45 8.78 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.974 0.892 . . . . 0.0 110.65 -172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.82 -45.98 0.82 Allowed Glycine 0 N--CA 1.428 -1.844 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.805 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 . . . . . 0 CA--C 1.507 -0.686 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 121.893 0.854 . . . . 0.0 109.878 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.557 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 121.87 0.843 . . . . 0.0 111.677 -177.407 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 31.6 mmt180 . . . . . 0 N--CA 1.429 -1.494 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -82.45 88.71 6.6 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.57 -53.22 0.81 Allowed Glycine 0 C--N 1.291 -1.918 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 48.4 t . . . . . 0 C--N 1.303 -1.414 0 CA-C-O 121.974 0.892 . . . . 0.0 108.642 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 . . . . . 0 N--CA 1.416 -2.143 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 . . . . . 0 C--N 1.305 -1.359 0 O-C-N 123.817 0.698 . . . . 0.0 109.59 -177.887 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.232 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.429 -1.478 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.922 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 . . . . . 0 N--CA 1.417 -2.122 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -60.11 106.41 0.51 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.968 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 -11.84 41.16 Favored Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.104 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 123.46 1.6 . . . . 0.0 110.064 -177.777 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 . . . . . 0 N--CA 1.438 -1.067 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 . . . . . 0 C--O 1.242 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.894 174.521 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.867 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.435 -1.217 0 CA-C-O 122.054 0.931 . . . . 0.0 109.058 176.335 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 . . . . . 0 CA--C 1.49 -1.333 0 CA-C-O 121.28 0.562 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.31 78.61 3.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.123 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.94 -31.82 0.51 Allowed Glycine 0 N--CA 1.42 -2.391 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.894 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.439 -0.997 0 CA-C-O 122.336 1.065 . . . . 0.0 111.294 -179.108 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 . . . . . 0 N--CA 1.429 -1.513 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 C--N 1.289 -2.043 0 CA-C-O 122.01 0.909 . . . . 0.0 110.659 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 122.011 0.91 . . . . 0.0 110.846 -178.083 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 . . . . . 0 N--CA 1.419 -2.013 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -77.14 83.98 3.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.592 0.71 . . . . 0.0 110.324 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.24 -34.54 1.09 Allowed Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.995 0.903 . . . . 0.0 109.064 177.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.04 0.448 . . . . 0.0 110.896 -175.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.758 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.243 0.726 0 C-N-CA 125.264 1.426 . . . . 0.0 109.426 177.159 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 N--CA 1.424 -1.728 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -62.0 102.56 0.29 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.9 -33.28 3.42 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.439 -0.995 0 CA-C-O 122.475 1.131 . . . . 0.0 110.567 -177.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 104.203 -2.518 . . . . 0.0 104.203 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.19 0.995 . . . . 0.0 112.238 -175.631 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.426 -1.643 0 CA-C-O 122.183 0.992 . . . . 0.0 110.048 177.477 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 . . . . . 0 CA--C 1.498 -1.032 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.14 96.17 1.75 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.561 0.696 . . . . 0.0 110.582 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.93 -31.44 2.09 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.242 0.687 0 C-N-CA 124.535 1.134 . . . . 0.0 110.604 179.381 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 . . . . . 0 C--N 1.324 -0.522 0 C-N-CA 124.628 1.171 . . . . 0.0 113.216 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.454 0 N-CA-C 112.301 -0.319 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.31 -1.112 0 CA-C-O 122.098 0.951 . . . . 0.0 112.804 -177.199 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -76.42 95.27 3.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.185 0.517 . . . . 0.0 109.784 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.39 -59.63 0.41 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 N--CA 1.437 -1.12 0 CA-C-O 121.534 0.683 . . . . 0.0 109.922 177.926 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 . . . . . 0 N--CA 1.424 -1.726 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 . . . . . 0 C--O 1.239 0.507 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.751 -179.236 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.34 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.422 -1.828 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.211 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 . . . . . 0 N--CA 1.44 -0.939 0 CA-C-O 122.734 1.254 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.92 83.01 6.75 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.524 -1.671 . . . . 0.0 108.665 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.18 -39.12 1.2 Allowed Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 179.34 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--O 1.237 0.414 0 C-N-CA 124.597 1.159 . . . . 0.0 109.652 -177.605 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.77 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.26 103.19 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.795 0.807 . . . . 0.0 111.838 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -102.45 153.21 20.26 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.875 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.513 ' H ' ' HB3' ' A' ' 13' ' ' ARG . 21.9 t -128.73 123.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -112.95 164.0 13.98 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -76.8 100.05 5.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.723 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.14 -29.0 7.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t -124.39 94.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -79.99 93.57 5.75 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 122.364 1.078 . . . . 0.0 113.73 -176.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 t -117.95 107.15 21.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.432 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.68 156.83 25.19 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 121.44 0.638 . . . . 0.0 109.653 -179.255 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 77.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-O 123.069 1.414 . . . . 0.0 110.898 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -104.18 104.81 14.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.15 135.82 54.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 123.207 0.603 . . . . 0.0 110.574 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -121.13 148.22 44.49 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -61.54 105.52 0.54 Allowed 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 122.912 0.485 . . . . 0.0 111.57 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.45 -21.39 41.22 Favored Glycine 0 CA--C 1.505 -0.568 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.69 64.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-O 122.415 1.102 . . . . 0.0 108.231 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -121.32 138.27 54.32 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.909 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -104.31 118.22 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.435 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -118.2 146.42 44.24 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.5 mmp_? . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 121.234 0.54 . . . . 0.0 109.788 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.77 96.02 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.52 94.46 6.25 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.04 145.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -134.11 164.07 28.16 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -79.45 96.85 6.18 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.11 -17.84 4.53 Favored Glycine 0 N--CA 1.427 -1.966 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.659 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 115.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.571 0.7 . . . . 0.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -74.61 93.45 2.53 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.514 0.673 . . . . 0.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.1 t -144.8 124.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.928 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ABA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.65 103.49 9.45 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 123.672 0.789 . . . . 0.0 111.817 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.436 0 CA-C-O 121.214 0.341 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.61 86.4 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -80.76 93.69 6.26 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 m -143.94 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.897 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.35 147.88 26.55 Favored 'General case' 0 N--CA 1.415 -2.224 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -79.95 73.27 6.73 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-O 122.277 1.036 . . . . 0.0 109.958 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 -30.4 0.28 Allowed Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 113.364 -1.744 . . . . 0.0 108.828 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.0 107.09 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 121.82 0.819 . . . . 0.0 110.671 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HG2' HG22 ' A' ' 15' ' ' VAL . 59.6 ttp180 -92.93 94.1 8.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' A' ' 13' ' ' ARG . 35.1 m -113.15 164.35 9.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ABA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -141.54 132.47 25.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 169.872 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t -83.31 92.7 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -50.14 118.99 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.516 1.526 . . . . 0.0 113.342 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.6 t -131.12 126.23 58.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.732 -176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 78.2 mtp180 -93.58 146.38 23.85 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -66.88 100.41 0.72 Allowed 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.488 0.661 . . . . 0.0 112.398 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 -9.43 59.86 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.243 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 21.3 t -131.46 56.4 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-O 122.343 1.068 . . . . 0.0 108.162 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -64.22 110.33 2.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.297 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 7.1 p -156.73 150.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -130.46 110.88 11.79 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.971 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 124.655 1.182 . . . . 0.0 112.318 175.741 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.633 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 17' ' ' ARG . 62.0 t -116.16 89.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.338 0.589 . . . . 0.0 109.589 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.79 120.46 20.36 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.148 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 m -86.82 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.497 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 25.8 mmm180 -108.72 156.09 19.99 Favored 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -75.44 102.09 5.05 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.64 0.733 . . . . 0.0 110.01 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.99 -17.85 19.52 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.573 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 29.4 t -132.85 92.17 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -176.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -56.69 104.46 0.15 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.347 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.04 106.02 19.93 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.885 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB2' ' HB ' ' A' ' 2' ' ' VAL . 24.7 mmt180 -110.88 127.88 55.6 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 121.339 0.59 . . . . 0.0 110.051 -179.561 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 17' ' ' ARG . 6.0 m -131.28 82.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-O 122.08 0.943 . . . . 0.0 110.35 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -127.3 94.19 3.93 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -142.82 132.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.021 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.378 -174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -97.85 143.78 28.1 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -70.67 87.14 0.67 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 123.997 0.81 . . . . 0.0 109.193 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.23 -27.22 1.71 Allowed Glycine 0 N--CA 1.425 -2.071 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.165 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.62 128.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.246 0.885 0 CA-C-O 121.339 0.59 . . . . 0.0 110.326 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -122.42 131.13 53.73 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.78 115.85 31.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB2' HG23 ' A' ' 2' ' ' VAL . 74.3 mtp180 -132.65 155.02 49.51 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.582 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.833 -179.474 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.012 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.74 114.27 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 CA-C-O 121.59 0.71 . . . . 0.0 109.354 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 15.2 ptm180 -66.45 99.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.759 0.79 . . . . 0.0 111.571 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.43 129.05 55.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.136 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.732 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -106.83 120.54 42.29 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-N 113.887 -1.506 . . . . 0.0 107.434 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -72.58 103.22 3.48 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.598 0.713 . . . . 0.0 109.323 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.97 4.05 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.315 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.33 39.83 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 122.889 1.328 . . . . 0.0 110.099 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.577 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 99.6 mtt180 -64.97 122.51 17.17 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.066 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 t -85.71 119.3 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -119.48 143.58 47.46 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.302 -1.478 0 CA-C-O 122.051 0.929 . . . . 0.0 110.86 -177.4 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.109 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.561 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.3 t -128.11 90.42 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.21 120.97 11.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.382 0.61 . . . . 0.0 109.758 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.14 142.72 16.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -91.36 124.13 35.32 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.0 97.96 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 124.828 1.33 . . . . 0.0 112.191 -172.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.43 -20.68 7.38 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.635 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.56 29.96 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 121.889 0.852 . . . . 0.0 111.487 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ABA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -141.92 130.95 23.18 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -139.73 129.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.0 mtm180 -98.72 152.95 19.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 124.119 0.887 . . . . 0.0 110.09 -179.319 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.071 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -137.7 117.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -97.48 94.0 6.77 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.418 0.628 . . . . 0.0 109.574 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.23 134.17 31.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.691 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 27.0 mmm180 -99.36 139.42 35.04 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.73 82.24 4.14 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.37 1.081 . . . . 0.0 110.279 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.98 -51.19 0.44 Allowed Glycine 0 N--CA 1.422 -2.265 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 58.6 t -127.58 103.99 11.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -64.28 158.11 24.21 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.801 0.81 . . . . 0.0 112.218 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -58.01 139.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 123.589 0.555 . . . . 0.0 110.758 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -101.06 154.39 18.76 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.292 -1.913 0 C-N-CA 124.48 1.112 . . . . 0.0 110.056 -176.669 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -125.54 98.46 5.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 122.07 0.938 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -88.61 159.54 17.83 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.74 140.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 124.572 1.149 . . . . 0.0 111.7 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -94.63 164.09 13.11 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -82.37 75.28 9.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.684 0.754 . . . . 0.0 110.257 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.26 -52.96 0.68 Allowed Glycine 0 N--CA 1.427 -1.933 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.396 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.88 90.14 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.1 mmp_? -134.06 135.66 43.46 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 104.036 -2.579 . . . . 0.0 104.036 170.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.71 125.38 61.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.39 154.07 33.0 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 121.12 0.486 . . . . 0.0 109.921 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.078 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.55 78.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 122.177 0.989 . . . . 0.0 110.227 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 19.0 ptp180 -70.28 93.4 0.84 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 122.027 0.918 . . . . 0.0 109.856 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 13' ' ' ARG . 30.6 t -132.76 94.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 N-CA-C 106.193 -1.781 . . . . 0.0 106.193 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -116.24 150.96 36.71 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -82.31 79.45 8.78 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.974 0.892 . . . . 0.0 110.65 -172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.82 -45.98 0.82 Allowed Glycine 0 N--CA 1.428 -1.844 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 t -114.91 77.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HB3' ' HB ' ' A' ' 6' ' ' VAL . 37.7 ttm180 -118.62 93.34 4.08 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 122.076 0.941 . . . . 0.0 109.177 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.59 152.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -129.06 142.1 51.01 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 121.893 0.854 . . . . 0.0 109.878 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.557 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.63 84.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.87 0.843 . . . . 0.0 111.677 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.431 ' HB3' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.79 113.36 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.679 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.3 p -117.99 151.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.515 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 31.6 mmt180 -109.11 160.42 16.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -82.45 88.71 6.6 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.57 -53.22 0.81 Allowed Glycine 0 C--N 1.291 -1.918 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 48.4 t -101.37 85.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 CA-C-O 121.974 0.892 . . . . 0.0 108.642 177.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -51.18 129.09 23.63 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.083 0.944 . . . . 0.0 112.545 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.68 143.48 15.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ABA . . . . . 0.431 ' HA ' ' HB3' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -100.35 124.64 46.08 Favored 'General case' 0 N--CA 1.416 -2.143 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 . . . . . 0 C--N 1.305 -1.359 0 O-C-N 123.817 0.698 . . . . 0.0 109.59 -177.887 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.232 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.421 ' HB ' HH11 ' A' ' 13' ' ' ARG . 46.7 t -87.78 89.24 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 27.2 tpt180 -51.01 119.71 4.21 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.852 0.834 . . . . 0.0 110.432 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.89 144.2 12.31 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 O-C-N 123.866 0.729 . . . . 0.0 109.669 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -98.44 124.96 43.44 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -60.11 106.41 0.51 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.968 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 -11.84 41.16 Favored Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.104 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -139.53 33.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 123.46 1.6 . . . . 0.0 110.064 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 95.1 mtt180 -118.98 157.54 27.53 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -138.65 138.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 113.536 -1.665 . . . . 0.0 107.436 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -123.14 101.04 7.17 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 . . . . . 0 C--O 1.242 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.894 174.521 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.867 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.75 104.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-O 122.054 0.931 . . . . 0.0 109.058 176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -72.66 94.14 1.7 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-O 121.918 0.866 . . . . 0.0 112.639 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.52 94.16 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.341 1.067 . . . . 0.0 111.745 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -149.13 114.17 5.45 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-O 121.28 0.562 . . . . 0.0 109.759 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.31 78.61 3.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.123 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.94 -31.82 0.51 Allowed Glycine 0 N--CA 1.42 -2.391 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.894 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.69 114.75 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 122.336 1.065 . . . . 0.0 111.294 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -63.69 94.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.536 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -108.29 121.14 60.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 121.344 0.593 . . . . 0.0 112.139 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -112.61 145.92 39.51 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 C--N 1.289 -2.043 0 CA-C-O 122.01 0.909 . . . . 0.0 110.659 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.63 77.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 122.011 0.91 . . . . 0.0 110.846 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -70.91 108.86 4.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.692 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.5 m -103.36 164.81 3.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.595 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -105.56 147.94 27.84 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.168 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -77.14 83.98 3.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.592 0.71 . . . . 0.0 110.324 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.24 -34.54 1.09 Allowed Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -141.39 104.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-O 121.995 0.903 . . . . 0.0 109.064 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -67.05 164.13 18.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.888 0.851 . . . . 0.0 112.992 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.61 135.77 27.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 CA-C-O 121.058 0.456 . . . . 0.0 110.024 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -121.84 134.95 54.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.04 0.448 . . . . 0.0 110.896 -175.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.758 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.13 77.94 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 125.264 1.426 . . . . 0.0 109.426 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -117.19 101.39 8.42 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-O 121.143 0.497 . . . . 0.0 111.692 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 12' ' ' ABA . 23.8 m -132.59 148.68 31.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.812 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -99.99 141.12 33.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -62.0 102.56 0.29 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.9 -33.28 3.42 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.41 98.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-O 122.475 1.131 . . . . 0.0 110.567 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ABA . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.4 146.58 53.9 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.557 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.73 129.9 5.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.596 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.42 113.26 21.57 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 104.203 -2.518 . . . . 0.0 104.203 170.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.19 0.995 . . . . 0.0 112.238 -175.631 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.59 79.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.426 -1.643 0 CA-C-O 122.183 0.992 . . . . 0.0 110.048 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 6' ' ' VAL . 70.5 ttt180 -125.35 129.45 49.95 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -173.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 4' ' ' ARG . 61.6 t -115.4 136.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -131.82 145.89 51.83 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.14 96.17 1.75 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.561 0.696 . . . . 0.0 110.582 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.93 -31.44 2.09 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.9 m -146.41 77.54 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 124.535 1.134 . . . . 0.0 110.604 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.3 tpm_? -120.52 146.13 46.61 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.007 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.04 94.3 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-O 122.015 0.912 . . . . 0.0 111.68 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -28.32 114.55 0.08 Allowed 'General case' 0 C--N 1.28 -2.416 0 C-N-CA 127.571 2.348 . . . . 0.0 112.396 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 . . . . . 0 C--N 1.324 -0.522 0 C-N-CA 124.628 1.171 . . . . 0.0 113.216 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.454 0 N-CA-C 112.301 -0.319 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 108.5 9.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-O 122.098 0.951 . . . . 0.0 112.804 -177.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.564 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -142.72 133.01 24.73 Favored 'General case' 0 C--N 1.282 -2.345 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.198 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.83 135.31 20.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 123.76 0.662 . . . . 0.0 110.235 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -128.8 145.68 51.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -76.42 95.27 3.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.185 0.517 . . . . 0.0 109.784 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.39 -59.63 0.41 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.67 100.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.534 0.683 . . . . 0.0 109.922 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.83 126.88 30.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.144 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.564 ' O ' ' HB3' ' A' ' 3' ' ' ABA . 11.7 m -87.48 92.83 3.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.614 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -113.15 103.12 11.04 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.54 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 . . . . . 0 C--O 1.239 0.507 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.751 -179.236 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.34 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p -151.56 125.13 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.828 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' HB3' ' HG3' ' A' ' 14' ' ' ABA . 12.7 ptm180 -117.71 129.44 55.72 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.053 -176.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.17 114.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.171 0.986 . . . . 0.0 112.772 -177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.659 ' HB2' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 -58.81 154.04 15.76 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 122.734 1.254 . . . . 0.0 112.533 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.92 83.01 6.75 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.524 -1.671 . . . . 0.0 108.665 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.18 -39.12 1.2 Allowed Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -125.6 88.56 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ABA . . . . . 0.659 ' HA ' ' HB2' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -76.97 110.08 11.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-O 121.604 0.716 . . . . 0.0 111.714 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.401 ' HG3' ' HB3' ' A' ' 4' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 3' ' ' ABA . 26.8 m -94.89 164.89 2.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.847 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HB2' ' HB2' ' A' ' 3' ' ' ABA . 86.2 mtt180 -116.34 121.23 41.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--O 1.237 0.414 0 C-N-CA 124.597 1.159 . . . . 0.0 109.652 -177.605 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.77 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 121.795 0.807 . . . . 0.0 111.838 179.455 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -76.8 100.05 5.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.723 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.14 -29.0 7.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 C--N 1.315 -0.918 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 121.44 0.638 . . . . 0.0 109.653 -179.255 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.311 -1.068 0 CA-C-O 123.069 1.414 . . . . 0.0 110.898 176.142 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 . . . . . 0 N--CA 1.44 -0.966 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -61.54 105.52 0.54 Allowed 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 122.912 0.485 . . . . 0.0 111.57 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.45 -21.39 41.22 Favored Glycine 0 CA--C 1.505 -0.568 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.307 -1.266 0 CA-C-O 122.415 1.102 . . . . 0.0 108.231 -178.553 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 . . . . . 0 N--CA 1.426 -1.668 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.5 mmp_? . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 121.234 0.54 . . . . 0.0 109.788 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.44 -0.933 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -178.806 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 . . . . . 0 N--CA 1.435 -1.183 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -79.45 96.85 6.18 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.11 -17.84 4.53 Favored Glycine 0 N--CA 1.427 -1.966 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.659 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 121.571 0.7 . . . . 0.0 110.842 -179.587 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 123.672 0.789 . . . . 0.0 111.817 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.436 0 CA-C-O 121.214 0.341 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.247 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -79.95 73.27 6.73 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-O 122.277 1.036 . . . . 0.0 109.958 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 -30.4 0.28 Allowed Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 113.364 -1.744 . . . . 0.0 108.828 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.24 0.574 0 CA-C-O 121.82 0.819 . . . . 0.0 110.671 177.706 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 . . . . . 0 C--O 1.218 -0.595 0 N-CA-C 111.246 0.091 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 169.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.442 -0.858 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.588 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.407 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 78.2 mtp180 . . . . . 0 N--CA 1.423 -1.815 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -66.88 100.41 0.72 Allowed 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.488 0.661 . . . . 0.0 112.398 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 -9.43 59.86 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.243 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 21.3 t . . . . . 0 C--O 1.243 0.734 0 CA-C-O 122.343 1.068 . . . . 0.0 108.162 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 124.655 1.182 . . . . 0.0 112.318 175.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.633 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 17' ' ' ARG . 62.0 t . . . . . 0 C--N 1.316 -0.872 0 CA-C-O 121.338 0.589 . . . . 0.0 109.589 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.497 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 25.8 mmm180 . . . . . 0 N--CA 1.423 -1.778 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -75.44 102.09 5.05 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.64 0.733 . . . . 0.0 110.01 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.99 -17.85 19.52 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.573 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 29.4 t . . . . . 0 C--O 1.245 0.839 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB2' ' HB ' ' A' ' 2' ' ' VAL . 24.7 mmt180 . . . . . 0 N--CA 1.428 -1.553 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 121.339 0.59 . . . . 0.0 110.051 -179.561 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 17' ' ' ARG . 6.0 m . . . . . 0 C--N 1.311 -1.096 0 CA-C-O 122.08 0.943 . . . . 0.0 110.35 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 . . . . . 0 N--CA 1.416 -2.131 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -70.67 87.14 0.67 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 123.997 0.81 . . . . 0.0 109.193 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.23 -27.22 1.71 Allowed Glycine 0 N--CA 1.425 -2.071 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.165 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.246 0.885 0 CA-C-O 121.339 0.59 . . . . 0.0 110.326 -178.249 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB2' HG23 ' A' ' 2' ' ' VAL . 74.3 mtp180 . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.833 -179.474 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.012 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.435 -1.198 0 CA-C-O 121.59 0.71 . . . . 0.0 109.354 178.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 N--CA 1.425 -1.677 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -72.58 103.22 3.48 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.598 0.713 . . . . 0.0 109.323 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.97 4.05 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.315 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 122.889 1.328 . . . . 0.0 110.099 178.616 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 . . . . . 0 N--CA 1.427 -1.607 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.302 -1.478 0 CA-C-O 122.051 0.929 . . . . 0.0 110.86 -177.4 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.109 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.561 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.3 t . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 . . . . . 0 N--CA 1.427 -1.582 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.0 97.96 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 124.828 1.33 . . . . 0.0 112.191 -172.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.43 -20.68 7.38 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.635 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 121.889 0.852 . . . . 0.0 111.487 -177.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.0 mtm180 . . . . . 0 N--CA 1.424 -1.761 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 124.119 0.887 . . . . 0.0 110.09 -179.319 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.071 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 27.0 mmm180 . . . . . 0 N--CA 1.42 -1.963 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.73 82.24 4.14 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.37 1.081 . . . . 0.0 110.279 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.98 -51.19 0.44 Allowed Glycine 0 N--CA 1.422 -2.265 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 58.6 t . . . . . 0 C--N 1.311 -1.101 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.425 -1.719 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.292 -1.913 0 C-N-CA 124.48 1.112 . . . . 0.0 110.056 -176.669 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.316 -0.889 0 CA-C-O 122.07 0.938 . . . . 0.0 111.115 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 . . . . . 0 N--CA 1.421 -1.918 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -82.37 75.28 9.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.684 0.754 . . . . 0.0 110.257 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.26 -52.96 0.68 Allowed Glycine 0 N--CA 1.427 -1.933 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.396 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.308 -1.231 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.266 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.428 -1.552 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 121.12 0.486 . . . . 0.0 109.921 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.078 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.317 -0.805 0 CA-C-O 122.177 0.989 . . . . 0.0 110.227 175.673 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -82.31 79.45 8.78 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.974 0.892 . . . . 0.0 110.65 -172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.82 -45.98 0.82 Allowed Glycine 0 N--CA 1.428 -1.844 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.805 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 . . . . . 0 CA--C 1.507 -0.686 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 121.893 0.854 . . . . 0.0 109.878 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.557 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 121.87 0.843 . . . . 0.0 111.677 -177.407 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 31.6 mmt180 . . . . . 0 N--CA 1.429 -1.494 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -82.45 88.71 6.6 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.57 -53.22 0.81 Allowed Glycine 0 C--N 1.291 -1.918 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 48.4 t . . . . . 0 C--N 1.303 -1.414 0 CA-C-O 121.974 0.892 . . . . 0.0 108.642 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 . . . . . 0 N--CA 1.416 -2.143 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 . . . . . 0 C--N 1.305 -1.359 0 O-C-N 123.817 0.698 . . . . 0.0 109.59 -177.887 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.232 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.429 -1.478 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 . . . . . 0 N--CA 1.417 -2.122 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -60.11 106.41 0.51 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.968 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 -11.84 41.16 Favored Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.104 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 123.46 1.6 . . . . 0.0 110.064 -177.777 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 . . . . . 0 N--CA 1.438 -1.067 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 . . . . . 0 C--O 1.242 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.894 174.521 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.867 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.435 -1.217 0 CA-C-O 122.054 0.931 . . . . 0.0 109.058 176.335 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 . . . . . 0 CA--C 1.49 -1.333 0 CA-C-O 121.28 0.562 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.31 78.61 3.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.123 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.94 -31.82 0.51 Allowed Glycine 0 N--CA 1.42 -2.391 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.894 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.439 -0.997 0 CA-C-O 122.336 1.065 . . . . 0.0 111.294 -179.108 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 . . . . . 0 N--CA 1.429 -1.513 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 C--N 1.289 -2.043 0 CA-C-O 122.01 0.909 . . . . 0.0 110.659 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 122.011 0.91 . . . . 0.0 110.846 -178.083 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 . . . . . 0 N--CA 1.419 -2.013 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -77.14 83.98 3.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.592 0.71 . . . . 0.0 110.324 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.24 -34.54 1.09 Allowed Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.995 0.903 . . . . 0.0 109.064 177.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 . . . . . 0 N--CA 1.43 -1.437 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.04 0.448 . . . . 0.0 110.896 -175.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.758 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.243 0.726 0 C-N-CA 125.264 1.426 . . . . 0.0 109.426 177.159 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 N--CA 1.424 -1.728 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -62.0 102.56 0.29 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.9 -33.28 3.42 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.439 -0.995 0 CA-C-O 122.475 1.131 . . . . 0.0 110.567 -177.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 104.203 -2.518 . . . . 0.0 104.203 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.19 0.995 . . . . 0.0 112.238 -175.631 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.426 -1.643 0 CA-C-O 122.183 0.992 . . . . 0.0 110.048 177.477 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 . . . . . 0 CA--C 1.498 -1.032 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.14 96.17 1.75 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.561 0.696 . . . . 0.0 110.582 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.93 -31.44 2.09 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.242 0.687 0 C-N-CA 124.535 1.134 . . . . 0.0 110.604 179.381 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 . . . . . 0 C--N 1.324 -0.522 0 C-N-CA 124.628 1.171 . . . . 0.0 113.216 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.454 0 N-CA-C 112.301 -0.319 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.31 -1.112 0 CA-C-O 122.098 0.951 . . . . 0.0 112.804 -177.199 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -76.42 95.27 3.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.185 0.517 . . . . 0.0 109.784 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.39 -59.63 0.41 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 N--CA 1.437 -1.12 0 CA-C-O 121.534 0.683 . . . . 0.0 109.922 177.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 . . . . . 0 N--CA 1.424 -1.726 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 . . . . . 0 C--O 1.239 0.507 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.751 -179.236 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.34 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.422 -1.828 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.211 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 . . . . . 0 N--CA 1.44 -0.939 0 CA-C-O 122.734 1.254 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.92 83.01 6.75 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.524 -1.671 . . . . 0.0 108.665 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.18 -39.12 1.2 Allowed Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 179.34 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--O 1.237 0.414 0 C-N-CA 124.597 1.159 . . . . 0.0 109.652 -177.605 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.77 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.26 103.19 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.795 0.807 . . . . 0.0 111.838 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -102.45 153.21 20.26 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.875 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.513 ' H ' ' HB3' ' A' ' 13' ' ' ARG . 21.9 t -128.73 123.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -112.95 164.0 13.98 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -76.8 100.05 5.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.723 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.14 -29.0 7.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t -124.39 94.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -79.99 93.57 5.75 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 122.364 1.078 . . . . 0.0 113.73 -176.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 t -117.95 107.15 21.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.432 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.68 156.83 25.19 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.295 -1.796 0 CA-C-O 121.44 0.638 . . . . 0.0 109.653 -179.255 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 77.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-O 123.069 1.414 . . . . 0.0 110.898 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -104.18 104.81 14.79 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.15 135.82 54.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 123.207 0.603 . . . . 0.0 110.574 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -121.13 148.22 44.49 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -61.54 105.52 0.54 Allowed 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 122.912 0.485 . . . . 0.0 111.57 -176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.45 -21.39 41.22 Favored Glycine 0 CA--C 1.505 -0.568 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.69 64.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-O 122.415 1.102 . . . . 0.0 108.231 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -121.32 138.27 54.32 Favored 'General case' 0 N--CA 1.417 -2.08 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.909 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -104.31 118.22 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.435 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -118.2 146.42 44.24 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.5 mmp_? . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 121.234 0.54 . . . . 0.0 109.788 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.77 96.02 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.52 94.46 6.25 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.899 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.04 145.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -134.11 164.07 28.16 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -79.45 96.85 6.18 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.11 -17.84 4.53 Favored Glycine 0 N--CA 1.427 -1.966 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.659 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.07 115.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.571 0.7 . . . . 0.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -74.61 93.45 2.53 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.514 0.673 . . . . 0.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.1 t -144.8 124.49 6.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.928 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -119.65 103.49 9.45 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 123.672 0.789 . . . . 0.0 111.817 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.436 0 CA-C-O 121.214 0.341 . . . . 0.0 112.709 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.61 86.4 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -80.76 93.69 6.26 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 m -143.94 93.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-N 113.308 -1.769 . . . . 0.0 109.897 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.35 147.88 26.55 Favored 'General case' 0 N--CA 1.415 -2.224 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -79.95 73.27 6.73 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-O 122.277 1.036 . . . . 0.0 109.958 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 -30.4 0.28 Allowed Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 113.364 -1.744 . . . . 0.0 108.828 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.0 107.09 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 121.82 0.819 . . . . 0.0 110.671 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HG2' HG22 ' A' ' 15' ' ' VAL . 59.6 ttp180 -92.93 94.1 8.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' A' ' 13' ' ' ARG . 35.1 m -113.15 164.35 9.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -141.54 132.47 25.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 169.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.0 t -83.31 92.7 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -50.14 118.99 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.516 1.526 . . . . 0.0 113.342 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.6 t -131.12 126.23 58.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.732 -176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 78.2 mtp180 -93.58 146.38 23.85 Favored 'General case' 0 N--CA 1.423 -1.815 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -66.88 100.41 0.72 Allowed 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.488 0.661 . . . . 0.0 112.398 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.99 -9.43 59.86 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.243 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 21.3 t -131.46 56.4 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-O 122.343 1.068 . . . . 0.0 108.162 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -64.22 110.33 2.17 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.297 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 7.1 p -156.73 150.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -130.46 110.88 11.79 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.971 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.323 -0.559 0 C-N-CA 124.655 1.182 . . . . 0.0 112.318 175.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.633 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 17' ' ' ARG . 62.0 t -116.16 89.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-O 121.338 0.589 . . . . 0.0 109.589 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.79 120.46 20.36 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.148 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 m -86.82 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.497 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 25.8 mmm180 -108.72 156.09 19.99 Favored 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -75.44 102.09 5.05 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.64 0.733 . . . . 0.0 110.01 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.99 -17.85 19.52 Favored Glycine 0 N--CA 1.429 -1.774 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.573 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 29.4 t -132.85 92.17 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.839 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 -176.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -56.69 104.46 0.15 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.347 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 t -110.04 106.02 19.93 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.885 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB2' ' HB ' ' A' ' 2' ' ' VAL . 24.7 mmt180 -110.88 127.88 55.6 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 121.339 0.59 . . . . 0.0 110.051 -179.561 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 17' ' ' ARG . 6.0 m -131.28 82.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-O 122.08 0.943 . . . . 0.0 110.35 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -127.3 94.19 3.93 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -142.82 132.51 22.03 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.021 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.378 -174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -97.85 143.78 28.1 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -70.67 87.14 0.67 Allowed 'General case' 0 C--N 1.294 -1.83 0 O-C-N 123.997 0.81 . . . . 0.0 109.193 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.23 -27.22 1.71 Allowed Glycine 0 N--CA 1.425 -2.071 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.165 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.62 128.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.246 0.885 0 CA-C-O 121.339 0.59 . . . . 0.0 110.326 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -122.42 131.13 53.73 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.78 115.85 31.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB2' HG23 ' A' ' 2' ' ' VAL . 74.3 mtp180 -132.65 155.02 49.51 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.582 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.306 -1.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.833 -179.474 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.012 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.74 114.27 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 CA-C-O 121.59 0.71 . . . . 0.0 109.354 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 15.2 ptm180 -66.45 99.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.759 0.79 . . . . 0.0 111.571 175.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.7 m -133.43 129.05 55.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.136 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.732 -176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -106.83 120.54 42.29 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-N 113.887 -1.506 . . . . 0.0 107.434 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -72.58 103.22 3.48 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.598 0.713 . . . . 0.0 109.323 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.97 4.05 Favored Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.315 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.33 39.83 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 122.889 1.328 . . . . 0.0 110.099 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.577 ' O ' ' HB3' ' A' ' 4' ' ' ARG . 99.6 mtt180 -64.97 122.51 17.17 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.066 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 t -85.71 119.3 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -119.48 143.58 47.46 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 . . . . . 0 C--N 1.302 -1.478 0 CA-C-O 122.051 0.929 . . . . 0.0 110.86 -177.4 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.109 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.561 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.3 t -128.11 90.42 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -61.21 120.97 11.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.382 0.61 . . . . 0.0 109.758 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.14 142.72 16.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -91.36 124.13 35.32 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.0 97.96 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 124.828 1.33 . . . . 0.0 112.191 -172.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.43 -20.68 7.38 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.635 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.56 29.96 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 121.889 0.852 . . . . 0.0 111.487 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -141.92 130.95 23.18 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.3 t -139.73 129.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.0 mtm180 -98.72 152.95 19.1 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 -177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 124.119 0.887 . . . . 0.0 110.09 -179.319 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.071 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -137.7 117.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -97.48 94.0 6.77 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.418 0.628 . . . . 0.0 109.574 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.23 134.17 31.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.691 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 27.0 mmm180 -99.36 139.42 35.04 Favored 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.73 82.24 4.14 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.37 1.081 . . . . 0.0 110.279 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.98 -51.19 0.44 Allowed Glycine 0 N--CA 1.422 -2.265 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 58.6 t -127.58 103.99 11.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -64.28 158.11 24.21 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.801 0.81 . . . . 0.0 112.218 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -58.01 139.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 O-C-N 123.589 0.555 . . . . 0.0 110.758 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -101.06 154.39 18.76 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--N 1.292 -1.913 0 C-N-CA 124.48 1.112 . . . . 0.0 110.056 -176.669 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -125.54 98.46 5.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 122.07 0.938 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -88.61 159.54 17.83 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.74 140.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 124.572 1.149 . . . . 0.0 111.7 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -94.63 164.09 13.11 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -82.37 75.28 9.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.684 0.754 . . . . 0.0 110.257 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.26 -52.96 0.68 Allowed Glycine 0 N--CA 1.427 -1.933 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.396 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.88 90.14 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.1 mmp_? -134.06 135.66 43.46 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 104.036 -2.579 . . . . 0.0 104.036 170.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.71 125.38 61.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -118.39 154.07 33.0 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 121.12 0.486 . . . . 0.0 109.921 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.078 0 N-CA-C 108.766 -1.734 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.9 m -136.55 78.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 122.177 0.989 . . . . 0.0 110.227 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 19.0 ptp180 -70.28 93.4 0.84 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 122.027 0.918 . . . . 0.0 109.856 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 13' ' ' ARG . 30.6 t -132.76 94.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 N-CA-C 106.193 -1.781 . . . . 0.0 106.193 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -116.24 150.96 36.71 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -82.31 79.45 8.78 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.974 0.892 . . . . 0.0 110.65 -172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.82 -45.98 0.82 Allowed Glycine 0 N--CA 1.428 -1.844 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 t -114.91 77.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HB3' ' HB ' ' A' ' 6' ' ' VAL . 37.7 ttm180 -118.62 93.34 4.08 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-O 122.076 0.941 . . . . 0.0 109.177 -178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.59 152.75 17.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -129.06 142.1 51.01 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 . . . . . 0 C--N 1.316 -0.871 0 CA-C-O 121.893 0.854 . . . . 0.0 109.878 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.557 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.63 84.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.87 0.843 . . . . 0.0 111.677 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.431 ' HB3' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.79 113.36 20.38 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.679 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.3 p -117.99 151.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.515 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 31.6 mmt180 -109.11 160.42 16.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -82.45 88.71 6.6 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.57 -53.22 0.81 Allowed Glycine 0 C--N 1.291 -1.918 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 48.4 t -101.37 85.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 CA-C-O 121.974 0.892 . . . . 0.0 108.642 177.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -51.18 129.09 23.63 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.083 0.944 . . . . 0.0 112.545 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.68 143.48 15.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.246 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . 0.431 ' HA ' ' HB3' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -100.35 124.64 46.08 Favored 'General case' 0 N--CA 1.416 -2.143 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 . . . . . 0 C--N 1.305 -1.359 0 O-C-N 123.817 0.698 . . . . 0.0 109.59 -177.887 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.232 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.421 ' HB ' HH11 ' A' ' 13' ' ' ARG . 46.7 t -87.78 89.24 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 27.2 tpt180 -51.01 119.71 4.21 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.852 0.834 . . . . 0.0 110.432 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.89 144.2 12.31 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 O-C-N 123.866 0.729 . . . . 0.0 109.669 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -98.44 124.96 43.44 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -60.11 106.41 0.51 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.968 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 -11.84 41.16 Favored Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.104 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -139.53 33.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 123.46 1.6 . . . . 0.0 110.064 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 95.1 mtt180 -118.98 157.54 27.53 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -138.65 138.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 113.536 -1.665 . . . . 0.0 107.436 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -123.14 101.04 7.17 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 . . . . . 0 C--O 1.242 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.894 174.521 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.867 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.75 104.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-O 122.054 0.931 . . . . 0.0 109.058 176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -72.66 94.14 1.7 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-O 121.918 0.866 . . . . 0.0 112.639 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.52 94.16 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.341 1.067 . . . . 0.0 111.745 -174.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -149.13 114.17 5.45 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-O 121.28 0.562 . . . . 0.0 109.759 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.31 78.61 3.83 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.123 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.94 -31.82 0.51 Allowed Glycine 0 N--CA 1.42 -2.391 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.894 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.69 114.75 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-O 122.336 1.065 . . . . 0.0 111.294 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -63.69 94.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.536 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -108.29 121.14 60.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 121.344 0.593 . . . . 0.0 112.139 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -112.61 145.92 39.51 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 C--N 1.289 -2.043 0 CA-C-O 122.01 0.909 . . . . 0.0 110.659 -179.525 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.63 77.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 122.011 0.91 . . . . 0.0 110.846 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -70.91 108.86 4.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.692 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.5 m -103.36 164.81 3.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.595 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -105.56 147.94 27.84 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.168 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -77.14 83.98 3.63 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.592 0.71 . . . . 0.0 110.324 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.24 -34.54 1.09 Allowed Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -141.39 104.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 CA-C-O 121.995 0.903 . . . . 0.0 109.064 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -67.05 164.13 18.48 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.888 0.851 . . . . 0.0 112.992 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.61 135.77 27.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.76 0 CA-C-O 121.058 0.456 . . . . 0.0 110.024 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -121.84 134.95 54.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.04 0.448 . . . . 0.0 110.896 -175.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.758 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.13 77.94 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 125.264 1.426 . . . . 0.0 109.426 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -117.19 101.39 8.42 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-O 121.143 0.497 . . . . 0.0 111.692 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 12' ' ' ABA . 23.8 m -132.59 148.68 31.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.812 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -99.99 141.12 33.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -62.0 102.56 0.29 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.9 -33.28 3.42 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.41 98.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 CA-C-O 122.475 1.131 . . . . 0.0 110.567 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -67.4 146.58 53.9 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.557 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.73 129.9 5.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.596 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.42 113.26 21.57 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 104.203 -2.518 . . . . 0.0 104.203 170.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 122.19 0.995 . . . . 0.0 112.238 -175.631 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -151.59 79.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.426 -1.643 0 CA-C-O 122.183 0.992 . . . . 0.0 110.048 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 6' ' ' VAL . 70.5 ttt180 -125.35 129.45 49.95 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -173.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 4' ' ' ARG . 61.6 t -115.4 136.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -131.82 145.89 51.83 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.14 96.17 1.75 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.561 0.696 . . . . 0.0 110.582 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.93 -31.44 2.09 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.9 m -146.41 77.54 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 C-N-CA 124.535 1.134 . . . . 0.0 110.604 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.3 tpm_? -120.52 146.13 46.61 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.007 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.04 94.3 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-O 122.015 0.912 . . . . 0.0 111.68 -178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -28.32 114.55 0.08 Allowed 'General case' 0 C--N 1.28 -2.416 0 C-N-CA 127.571 2.348 . . . . 0.0 112.396 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 . . . . . 0 C--N 1.324 -0.522 0 C-N-CA 124.628 1.171 . . . . 0.0 113.216 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.454 0 N-CA-C 112.301 -0.319 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.55 108.5 9.03 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-O 122.098 0.951 . . . . 0.0 112.804 -177.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.564 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -142.72 133.01 24.73 Favored 'General case' 0 C--N 1.282 -2.345 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.198 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.83 135.31 20.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 O-C-N 123.76 0.662 . . . . 0.0 110.235 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -128.8 145.68 51.12 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -76.42 95.27 3.8 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.185 0.517 . . . . 0.0 109.784 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.39 -59.63 0.41 Allowed Glycine 0 N--CA 1.43 -1.763 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.67 100.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-O 121.534 0.683 . . . . 0.0 109.922 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.83 126.88 30.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.144 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.564 ' O ' ' HB3' ' A' ' 3' ' ' ABA . 11.7 m -87.48 92.83 3.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.614 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -113.15 103.12 11.04 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.54 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 . . . . . 0 C--O 1.239 0.507 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.751 -179.236 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.34 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p -151.56 125.13 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.828 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' HB3' ' HG3' ' A' ' 14' ' ' ABA . 12.7 ptm180 -117.71 129.44 55.72 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.053 -176.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.17 114.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.171 0.986 . . . . 0.0 112.772 -177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.659 ' HB2' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 -58.81 154.04 15.76 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 122.734 1.254 . . . . 0.0 112.533 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.92 83.01 6.75 Favored 'General case' 0 C--N 1.278 -2.52 0 CA-C-N 113.524 -1.671 . . . . 0.0 108.665 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.18 -39.12 1.2 Allowed Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -125.6 88.56 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . 0.659 ' HA ' ' HB2' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -76.97 110.08 11.3 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-O 121.604 0.716 . . . . 0.0 111.714 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.401 ' HG3' ' HB3' ' A' ' 4' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 3' ' ' ABA . 26.8 m -94.89 164.89 2.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.847 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HB2' ' HB2' ' A' ' 3' ' ' ABA . 86.2 mtt180 -116.34 121.23 41.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--O 1.237 0.414 0 C-N-CA 124.597 1.159 . . . . 0.0 109.652 -177.605 . . . . . . . . 0 0 . 1 stop_ save_