data_2n5d_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 2n5d _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 ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -21.72 64.07 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.38 -42.09 13.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.565 1.146 . . . . 0.0 112.223 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -75.24 -47.71 26.83 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 124.899 1.28 . . . . 0.0 112.172 -174.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.65 -34.12 77.14 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.243 -0.91 . . . . 0.0 112.153 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.3 89.05 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.407 1.083 . . . . 0.0 112.672 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.17 -42.44 31.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 111.506 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.29 -36.11 82.12 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.15 1.38 . . . . 0.0 113.072 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.4 m -61.51 -36.39 80.4 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.306 0.957 . . . . 0.0 112.541 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.44 71.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.022 0.374 . . . . 0.0 111.751 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 p -84.29 -31.34 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.084 -1.01 . . . . 0.0 112.12 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -62.75 -35.85 81.12 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.148 0.979 . . . . 0.0 112.556 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -88.87 8.54 28.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.46 1.504 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.6 27.51 15.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.347 1.859 . . . . 0.0 114.397 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -82.93 -28.5 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.297 1.039 . . . . 0.0 112.038 168.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.16 138.98 53.29 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.017 1.727 . . . . 0.0 109.442 -171.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -80.52 157.01 26.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.919 0.888 . . . . 0.0 112.766 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mm -55.43 -45.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.112 1.365 . . . . 0.0 110.148 168.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.64 -36.32 73.36 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.307 -0.871 . . . . 0.0 111.533 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -43.01 73.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.074 0.95 . . . . 0.0 110.7 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 -25.35 68.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.718 -1.239 . . . . 0.0 113.121 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -77.47 -41.12 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.717 1.207 . . . . 0.0 111.198 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -29.11 60.31 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 124.42 1.088 . . . . 0.0 113.921 176.034 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.75 66.08 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.32 -50.47 72.85 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.11 0.964 . . . . 0.0 111.547 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.66 -38.75 87.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.321 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -50.51 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.701 0.8 . . . . 0.0 111.194 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.86 -39.91 94.31 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.119 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -60.29 -46.76 88.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.914 0.779 . . . . 0.0 110.961 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.34 -38.44 71.64 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.38 -44.88 95.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.879 0.763 . . . . 0.0 111.375 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -70.98 -36.2 72.42 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.72 -15.33 62.19 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.386 1.075 . . . . 0.0 113.375 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.33 10.52 79.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.841 1.21 . . . . 0.0 114.403 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.68 -5.97 89.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.562 1.554 . . . . 0.0 114.622 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.5 tp -133.05 137.29 46.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.095 1.758 . . . . 0.0 110.571 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.16 154.47 40.3 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 0.0 112.425 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -61.27 -38.01 85.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.491 0.716 . . . . 0.0 112.302 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.18 96.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.229 1.012 . . . . 0.0 111.986 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.04 81.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.566 0.746 . . . . 0.0 111.889 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.62 77.12 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.069 0.548 . . . . 0.0 111.223 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.02 -42.52 99.25 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.388 -0.82 . . . . 0.0 112.312 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.96 70.63 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.357 0.663 . . . . 0.0 112.483 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 mp -71.14 -31.97 68.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.232 1.013 . . . . 0.0 112.425 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.71 -36.22 75.72 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.004 0.82 . . . . 0.0 112.688 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.99 60.81 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 C-N-CA 125.154 1.359 . . . . 0.0 114.791 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.25 -27.74 60.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.638 0.775 . . . . 0.0 112.637 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.87 -41.08 27.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.015 0.926 . . . . 0.0 112.039 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.77 -53.57 48.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.223 1.009 . . . . 0.0 111.571 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.51 -34.0 76.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.218 -0.927 . . . . 0.0 113.071 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.85 75.71 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.626 0.771 . . . . 0.0 112.268 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.19 -51.71 42.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.745 1.218 . . . . 0.0 111.101 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.4 -38.68 87.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.767 1.227 . . . . 0.0 112.0 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.4 m -60.53 -27.18 67.43 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.47 -35.83 24.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.499 0.59 . . . . 0.0 112.497 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.45 -36.72 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.83 1.195 . . . . 0.0 112.367 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -59.93 -28.67 67.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.798 1.239 . . . . 0.0 112.664 172.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -102.13 16.03 27.32 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.466 1.906 . . . . 0.0 113.236 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.9 t30 60.26 20.8 10.23 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.428 1.891 . . . . 0.0 114.74 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -91.62 -17.94 24.78 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.435 1.494 . . . . 0.0 113.515 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.12 138.75 49.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 109.287 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -83.58 158.22 22.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.449 1.1 . . . . 0.0 112.726 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.59 -52.77 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.549 1.14 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.16 -25.96 42.78 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.631 -0.668 . . . . 0.0 112.784 -173.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -69.09 -37.77 78.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.35 0.66 . . . . 0.0 110.82 169.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.96 -32.1 73.12 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.747 -1.22 . . . . 0.0 112.481 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.16 -38.57 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.3 -0.875 . . . . 0.0 110.635 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -22.77 55.63 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 124.465 1.106 . . . . 0.0 113.2 173.777 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 t0 . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.9 -36.37 67.6 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.742 -1.224 . . . . 0.0 113.255 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.7 -44.2 81.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.071 1.348 . . . . 0.0 112.783 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -71.13 -41.74 70.12 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.271 1.028 . . . . 0.0 110.94 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.71 -47.83 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.237 1.015 . . . . 0.0 111.362 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.21 -36.09 82.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.599 -0.688 . . . . 0.0 111.572 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.8 m -62.01 -44.66 96.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.688 0.677 . . . . 0.0 111.362 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 -38.14 82.23 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.466 0.707 . . . . 0.0 112.461 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -70.0 -39.27 75.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -73.45 -33.88 65.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.362 0.665 . . . . 0.0 112.749 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.67 -12.18 61.2 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.548 1.139 . . . . 0.0 112.808 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.39 88.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.148 1.356 . . . . 0.0 114.222 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -12.65 84.22 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.055 1.312 . . . . 0.0 114.413 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 tp -121.18 143.27 49.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.272 1.829 . . . . 0.0 110.924 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.18 157.79 18.71 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.301 1.04 . . . . 0.0 112.045 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -59.14 -39.84 83.64 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.453 -0.779 . . . . 0.0 112.902 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.71 95.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.579 0.751 . . . . 0.0 112.46 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 -38.92 67.19 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.409 0.684 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.12 85.38 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.113 -0.992 . . . . 0.0 111.536 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.19 -43.23 92.21 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.492 -0.755 . . . . 0.0 112.321 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.67 40.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.453 0.701 . . . . 0.0 112.106 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -36.75 84.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.766 1.226 . . . . 0.0 112.415 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.47 -32.58 71.58 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.104 0.866 . . . . 0.0 113.201 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.81 -3.01 42.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.592 0 C-N-CA 124.757 1.17 . . . . 0.0 115.028 -178.239 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 . . . . . 0 N--CA 1.467 0.385 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.49 44.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.157 0.983 . . . . 0.0 113.388 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -68.73 -38.74 80.39 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.588 0.709 . . . . 0.0 111.488 171.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.74 -49.45 65.94 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.299 1.039 . . . . 0.0 111.044 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -55.36 -40.78 71.71 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.663 0.665 . . . . 0.0 112.528 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.96 83.34 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.705 0.802 . . . . 0.0 112.433 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.85 -48.88 72.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.03 -41.57 95.14 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.309 1.443 . . . . 0.0 111.937 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -60.13 -27.06 66.75 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.34 -0.85 . . . . 0.0 112.941 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.14 -31.83 34.0 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.07 -33.63 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.688 -1.257 . . . . 0.0 112.344 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.85 -26.38 68.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.878 1.271 . . . . 0.0 112.625 170.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -98.23 11.4 38.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.426 1.89 . . . . 0.0 112.679 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 61.34 21.03 11.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.903 2.081 . . . . 0.0 115.214 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -99.64 -10.72 21.65 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.64 1.576 . . . . 0.0 114.365 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.68 137.47 53.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.971 1.708 . . . . 0.0 108.686 173.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -84.64 157.69 21.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.171 0.988 . . . . 0.0 112.601 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -54.44 -53.76 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.727 1.211 . . . . 0.0 110.848 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.57 -32.15 73.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.591 0.757 . . . . 0.0 111.762 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -72.33 -41.75 66.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.778 0.831 . . . . 0.0 111.297 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.38 69.56 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.379 -1.45 . . . . 0.0 112.412 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.45 -47.72 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.676 -0.64 . . . . 0.0 109.987 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -25.92 63.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.815 1.189 . . . . 0.0 113.858 -173.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.56 1.144 . . . . 0.0 113.114 173.205 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.88 55.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.126 0.97 . . . . 0.0 113.422 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.5 -51.13 70.69 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.199 0.909 . . . . 0.0 111.997 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.27 -40.04 81.99 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.97 -0.456 . . . . 0.0 111.37 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.0 mt -60.51 -48.43 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.325 1.05 . . . . 0.0 110.882 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.55 -37.9 88.05 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.619 -0.676 . . . . 0.0 112.139 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.3 m -62.8 -43.21 99.39 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.125 0.875 . . . . 0.0 110.986 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -66.2 -41.09 90.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.177 0.991 . . . . 0.0 112.257 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.77 -37.73 73.39 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -73.35 -33.84 65.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.709 0.686 . . . . 0.0 112.336 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -73.05 -12.36 60.89 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.48 1.112 . . . . 0.0 113.258 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.32 9.9 83.04 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.6 1.095 . . . . 0.0 114.867 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.47 -6.12 88.0 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.291 1.424 . . . . 0.0 114.245 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 tp -131.95 145.07 51.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.35 1.86 . . . . 0.0 110.573 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.34 156.8 20.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.148 0.979 . . . . 0.0 111.732 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -66.23 -35.43 80.4 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.251 -0.906 . . . . 0.0 112.705 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.81 95.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 112.39 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.83 -37.78 73.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.581 0.752 . . . . 0.0 111.791 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.06 91.93 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.509 -0.744 . . . . 0.0 111.721 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.86 -44.98 93.84 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.141 -0.974 . . . . 0.0 111.553 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.33 48.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.687 0.795 . . . . 0.0 111.7 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.32 -35.53 77.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.64 1.176 . . . . 0.0 112.239 -175.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.93 -33.66 72.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.298 0.954 . . . . 0.0 112.749 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.02 7.56 7.1 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.615 1.166 . . . . 0.0 114.103 170.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 C-N-CA 124.824 1.202 . . . . 0.0 115.235 176.582 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -32.45 62.73 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -75.41 -37.29 60.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.895 0.878 . . . . 0.0 111.873 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.18 -49.21 65.47 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.269 1.028 . . . . 0.0 111.499 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.91 -37.42 79.4 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.77 0.828 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.13 94.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.611 0.765 . . . . 0.0 112.371 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.91 -50.09 45.67 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.327 1.051 . . . . 0.0 110.991 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.661 1.184 . . . . 0.0 111.797 -173.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -60.36 -29.14 68.72 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.475 -0.766 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.08 44.26 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.45 -35.47 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 120.827 -1.171 . . . . 0.0 111.686 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.81 -31.4 72.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.33 1.052 . . . . 0.0 112.946 171.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -86.58 6.15 32.2 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.546 1.538 . . . . 0.0 113.548 174.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.38 37.97 29.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.918 1.687 . . . . 0.0 113.302 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -102.95 -17.05 15.65 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.12 1.768 . . . . 0.0 113.302 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.1 141.11 51.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.947 1.699 . . . . 0.0 109.404 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -90.25 159.19 16.82 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.637 1.175 . . . . 0.0 113.755 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.4 mm -55.83 -53.33 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.131 1.373 . . . . 0.0 110.858 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.86 -30.81 67.3 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.516 -0.74 . . . . 0.0 112.144 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.03 -46.37 81.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.2 1.0 . . . . 0.0 111.103 171.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.45 -30.72 71.55 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.705 -1.247 . . . . 0.0 112.618 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.4 t -73.63 -42.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 t -71.33 -27.75 63.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.234 0.924 . . . . 0.0 113.405 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 124.417 1.087 . . . . 0.0 113.372 173.804 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.26 69.58 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.03 -51.89 67.7 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.1 0.864 . . . . 0.0 110.964 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.44 -41.42 98.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.799 0.84 . . . . 0.0 112.048 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.46 -49.5 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.188 0.995 . . . . 0.0 110.433 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.4 -38.2 89.25 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.401 0.546 . . . . 0.0 111.79 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.1 m -61.03 -47.3 87.03 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.056 0.844 . . . . 0.0 110.934 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.7 -45.36 94.32 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.501 0.591 . . . . 0.0 111.602 173.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -66.33 -35.26 79.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.587 0.755 . . . . 0.0 112.926 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.0 -36.31 61.97 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.692 -0.63 . . . . 0.0 112.688 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -72.97 -13.51 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.898 1.279 . . . . 0.0 113.636 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.48 8.55 77.25 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.537 1.065 . . . . 0.0 114.719 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.63 3.91 80.87 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.136 1.827 . . . . 0.0 114.863 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 tp -143.6 153.02 42.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.375 1.87 . . . . 0.0 110.145 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -100.06 157.16 16.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.041 1.336 . . . . 0.0 111.795 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -66.18 -32.4 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.142 -0.974 . . . . 0.0 113.243 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.31 98.35 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.847 0.859 . . . . 0.0 112.425 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.71 70.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.132 0.573 . . . . 0.0 111.363 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.39 89.74 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.834 0.743 . . . . 0.0 111.339 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -59.82 -45.9 90.94 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.465 -0.772 . . . . 0.0 112.639 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.59 69.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.819 0.847 . . . . 0.0 112.387 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.85 -37.08 78.89 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.811 1.244 . . . . 0.0 111.927 -175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.35 -32.79 68.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.11 -0.84 17.86 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 C-N-CA 124.893 1.235 . . . . 0.0 115.362 174.798 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -30.23 52.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.593 1.157 . . . . 0.0 113.232 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.78 -35.47 64.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.801 0.84 . . . . 0.0 111.615 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.17 -52.43 62.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.973 0.909 . . . . 0.0 110.532 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.51 -39.12 72.79 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.484 -0.76 . . . . 0.0 112.824 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.53 77.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.636 0.774 . . . . 0.0 112.477 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.09 -48.1 72.07 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.172 0.989 . . . . 0.0 111.079 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.06 -36.72 84.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.992 0.917 . . . . 0.0 111.864 -173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -59.52 -33.73 71.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.83 58.93 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.498 0.59 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.9 -33.1 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.251 -0.905 . . . . 0.0 111.726 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -63.96 -26.59 68.65 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.244 1.018 . . . . 0.0 112.627 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.49 14.01 31.35 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.277 1.831 . . . . 0.0 112.249 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 61.78 18.89 10.11 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.379 1.872 . . . . 0.0 115.251 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -99.16 -10.79 22.04 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.134 1.374 . . . . 0.0 114.327 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.73 135.66 48.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.894 1.678 . . . . 0.0 108.776 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 m -84.49 160.38 20.55 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mm -55.83 -52.7 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.294 1.038 . . . . 0.0 110.891 175.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.51 -32.71 72.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -66.73 -45.46 78.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.061 0.944 . . . . 0.0 110.525 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.63 -27.54 68.46 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 112.901 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.1 t -75.43 -40.12 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 118.773 0.715 . . . . 0.0 110.768 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -30.59 62.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.454 1.025 . . . . 0.0 113.31 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.059 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.751 0.31 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.05 61.77 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.868 0.867 . . . . 0.0 113.0 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -56.54 -48.48 77.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.086 1.354 . . . . 0.0 112.471 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.46 -40.96 73.37 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.279 0.631 . . . . 0.0 111.377 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.77 -47.31 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.005 0.922 . . . . 0.0 111.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.58 -38.62 91.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.351 0.523 . . . . 0.0 112.187 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -61.97 -46.2 90.31 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.55 0.614 . . . . 0.0 111.136 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -65.21 -42.41 93.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.138 0.975 . . . . 0.0 112.428 176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -63.78 -43.37 96.57 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -72.14 -37.29 69.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.404 0.547 . . . . 0.0 112.386 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.19 -15.94 63.51 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.426 1.09 . . . . 0.0 113.386 173.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.19 73.55 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.047 1.308 . . . . 0.0 114.337 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.23 -7.04 88.91 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.925 1.25 . . . . 0.0 114.652 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.84 141.7 46.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.769 2.028 . . . . 0.0 110.757 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.45 159.64 17.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.176 0.99 . . . . 0.0 112.427 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -56.19 -43.1 78.14 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.247 1.019 . . . . 0.0 112.921 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.83 98.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.572 0.749 . . . . 0.0 112.17 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.0 -36.77 69.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.429 0.692 . . . . 0.0 112.161 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -46.69 88.97 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.223 -0.923 . . . . 0.0 111.599 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -61.16 -44.77 96.79 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.722 0.692 . . . . 0.0 111.789 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.7 64.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.566 0.746 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.26 -35.69 73.95 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.67 1.188 . . . . 0.0 112.198 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.0 -35.27 80.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.07 -1.019 . . . . 0.0 112.511 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.65 -10.36 59.37 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.475 0 C-N-CA 125.176 1.369 . . . . 0.0 115.339 -178.098 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 -35.33 58.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.41 0.684 . . . . 0.0 112.29 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.94 -35.18 64.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.13 0.972 . . . . 0.0 111.896 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 mt -69.04 -43.0 75.57 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.556 1.142 . . . . 0.0 111.553 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.25 -40.56 86.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.528 1.058 . . . . 0.0 112.322 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.13 92.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.305 0.642 . . . . 0.0 112.363 177.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.8 tp -70.14 -49.8 47.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.932 0.893 . . . . 0.0 111.327 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.6 -42.79 86.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.403 1.481 . . . . 0.0 112.217 -173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -32.54 72.82 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.064 -1.023 . . . . 0.0 112.31 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.39 70.09 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.54 -0.725 . . . . 0.0 111.975 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 p -79.0 -32.12 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.927 -1.108 . . . . 0.0 112.508 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -69.72 -25.91 64.08 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.82 8.12 38.71 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.552 1.541 . . . . 0.0 114.027 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.9 t30 58.8 27.04 15.51 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.587 1.955 . . . . 0.0 114.603 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -83.63 -23.54 31.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.591 1.156 . . . . 0.0 112.358 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.87 143.01 51.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.857 2.063 . . . . 0.0 108.572 -175.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -91.26 159.34 16.09 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.859 -1.15 . . . . 0.0 113.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.3 mm -55.24 -53.12 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.303 1.441 . . . . 0.0 110.429 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -66.62 -32.41 73.71 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.638 -0.664 . . . . 0.0 111.804 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.69 -46.02 70.12 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.348 1.059 . . . . 0.0 111.213 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.78 68.04 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.187 -0.946 . . . . 0.0 113.068 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -76.49 -41.82 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.427 1.091 . . . . 0.0 111.216 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -30.37 62.24 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.409 1.004 . . . . 0.0 113.087 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 123.644 0.777 . . . . 0.0 112.831 173.503 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 120.879 0.371 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.27 -39.29 63.78 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.31 -50.15 74.15 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.014 0.825 . . . . 0.0 110.914 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.29 -41.4 98.46 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.194 0.997 . . . . 0.0 111.857 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.053 0.941 . . . . 0.0 110.955 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.8 -38.44 90.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.656 0.662 . . . . 0.0 112.105 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.0 -47.82 83.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.499 0.72 . . . . 0.0 110.882 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -68.67 -38.5 80.43 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.861 -0.524 . . . . 0.0 112.399 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.12 -46.23 88.28 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.864 0.866 . . . . 0.0 112.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -70.37 -33.26 71.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.083 0.553 . . . . 0.0 112.476 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.68 -12.27 60.16 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.373 1.069 . . . . 0.0 113.541 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.63 10.23 84.6 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.817 1.199 . . . . 0.0 115.295 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.33 86.99 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.979 1.276 . . . . 0.0 114.04 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 tp -136.93 141.45 42.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.647 1.979 . . . . 0.0 110.432 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -84.48 161.26 20.34 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.026 0.93 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -64.68 -36.95 85.94 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.022 -1.049 . . . . 0.0 111.785 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.86 65.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 113.422 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.97 -41.74 15.58 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.093 0.957 . . . . 0.0 111.446 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.8 84.02 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.468 -0.77 . . . . 0.0 111.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.01 -41.73 88.44 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.829 0.851 . . . . 0.0 112.131 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.54 71.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.335 0.654 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.83 -33.44 66.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.945 0.898 . . . . 0.0 112.402 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.08 -35.23 79.37 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.055 0.942 . . . . 0.0 112.337 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 0.32 44.13 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.665 0 C-N-CA 124.631 1.11 . . . . 0.0 115.413 176.395 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.49 -33.26 66.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.752 0.821 . . . . 0.0 112.769 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.2 -36.91 74.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.021 0.928 . . . . 0.0 111.765 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.25 -49.08 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.383 1.073 . . . . 0.0 111.387 171.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.05 -37.99 78.32 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.413 -0.804 . . . . 0.0 112.716 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.12 78.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.773 0.829 . . . . 0.0 112.38 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.22 -45.62 83.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.656 1.183 . . . . 0.0 111.053 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.9 -44.42 85.31 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.799 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 m -60.44 -33.67 72.87 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.775 -1.203 . . . . 0.0 112.576 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.98 71.95 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.598 0.635 . . . . 0.0 112.498 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.8 -31.84 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 120.7 -1.25 . . . . 0.0 112.954 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -65.38 -30.16 70.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.469 1.108 . . . . 0.0 112.552 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -93.92 10.27 34.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.869 1.667 . . . . 0.0 113.068 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.339 0.8 OUTLIER 50.45 31.44 5.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.075 2.55 . . . . 0.0 115.546 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.88 -32.43 57.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.469 1.508 . . . . 0.0 111.9 165.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.28 140.3 49.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 108.978 -174.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.3 m -85.77 156.88 20.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.922 0.889 . . . . 0.0 113.262 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -53.99 -50.65 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.524 1.53 . . . . 0.0 111.516 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -78.06 -25.66 47.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -67.21 -43.11 82.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.267 0.627 . . . . 0.0 110.638 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.07 -30.28 71.47 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.184 -0.948 . . . . 0.0 112.519 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.48 -41.26 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.289 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -23.77 62.54 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 CA--C 1.542 0.645 0 C-N-CA 124.817 1.247 . . . . 0.0 113.078 172.724 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 121.208 0.528 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.58 -36.28 64.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.816 0.847 . . . . 0.0 113.017 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -69.06 -39.72 78.96 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.932 1.242 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.97 -41.28 95.59 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.579 0.752 . . . . 0.0 110.808 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.01 -48.24 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.294 1.038 . . . . 0.0 110.695 174.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.59 -44.93 96.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.005 0.82 . . . . 0.0 111.808 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.6 m -56.55 -48.37 77.43 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.695 0.679 . . . . 0.0 111.668 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.12 -33.78 75.14 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.97 -41.81 77.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.708 0.803 . . . . 0.0 112.307 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -71.77 -33.4 68.6 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.737 -0.602 . . . . 0.0 112.456 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.75 -14.75 61.61 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.559 1.144 . . . . 0.0 113.273 172.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.88 8.18 87.75 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.103 1.335 . . . . 0.0 114.817 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.6 -14.43 82.11 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.846 1.213 . . . . 0.0 114.416 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tt -131.91 135.96 47.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.617 1.967 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.3 158.5 19.05 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 0.0 113.212 -172.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -57.0 -40.0 75.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.991 -1.068 . . . . 0.0 112.927 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.74 92.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.382 0.673 . . . . 0.0 112.15 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.15 73.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.924 0.889 . . . . 0.0 111.518 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -49.37 77.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.004 0.82 . . . . 0.0 111.099 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.37 -38.39 86.82 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.374 -0.829 . . . . 0.0 112.558 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -59.17 5.14 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.842 0.746 . . . . 0.0 111.293 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.48 -36.73 81.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.481 1.113 . . . . 0.0 112.905 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.13 -33.27 73.19 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.755 0.822 . . . . 0.0 112.56 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.46 -2.33 45.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.588 0 C-N-CA 124.331 0.967 . . . . 0.0 114.815 -178.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.64 63.8 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.94 0.896 . . . . 0.0 113.046 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -71.92 -39.86 69.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.613 0.765 . . . . 0.0 111.571 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -65.64 -50.7 64.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.102 0.961 . . . . 0.0 111.004 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.79 -38.5 82.08 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.913 0.779 . . . . 0.0 112.693 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.17 95.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.275 0.63 . . . . 0.0 111.952 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.94 -48.54 52.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.145 0.978 . . . . 0.0 111.529 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.44 -43.91 84.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.582 1.553 . . . . 0.0 112.087 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -63.57 -29.13 70.43 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.615 -0.678 . . . . 0.0 112.276 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -36.34 64.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.605 0.762 . . . . 0.0 112.156 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -78.29 -33.98 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.627 1.103 . . . . 0.0 112.749 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -68.78 -18.67 64.24 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -99.23 9.59 43.1 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.177 1.391 . . . . 0.0 112.74 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.05 20.71 9.86 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.193 1.797 . . . . 0.0 114.642 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -81.23 -27.27 35.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.118 0.967 . . . . 0.0 111.979 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.28 159.75 30.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.706 2.002 . . . . 0.0 109.297 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -116.84 158.29 24.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.827 1.651 . . . . 0.0 112.083 -177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -51.04 -51.86 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.311 1.444 . . . . 0.0 111.234 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.39 -30.32 61.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -75.15 -25.56 58.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.311 1.044 . . . . 0.0 112.105 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 -39.04 51.91 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.266 -0.896 . . . . 0.0 111.786 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.98 -41.4 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.953 0.901 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -67.29 -26.47 66.56 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 124.471 1.108 . . . . 0.0 112.52 175.689 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.82 79.97 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 112.435 -173.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.029 . . . . 0.0 110.899 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.19 -40.29 95.58 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.054 0.941 . . . . 0.0 111.856 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.73 -49.4 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.83 0.852 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.02 -37.93 89.14 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.02 -0.514 . . . . 0.0 111.662 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.6 m -62.81 -45.48 92.43 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.11 0.868 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -66.78 -43.99 82.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.742 0.701 . . . . 0.0 112.27 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.41 -44.9 95.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.272 1.029 . . . . 0.0 111.826 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.0 -33.42 72.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.29 -11.19 59.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.771 1.228 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.47 10.86 83.95 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.614 1.102 . . . . 0.0 114.302 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.83 2.53 87.35 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.221 1.867 . . . . 0.0 114.704 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 tp -147.42 138.47 23.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.824 2.049 . . . . 0.0 110.057 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.97 163.06 27.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.487 -0.758 . . . . 0.0 111.515 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -62.17 -41.25 98.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.266 -0.896 . . . . 0.0 111.958 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -37.62 88.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.059 0.544 . . . . 0.0 111.88 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -40.52 63.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.312 0.645 . . . . 0.0 112.016 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.24 81.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.625 0.77 . . . . 0.0 111.481 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.02 -42.6 94.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.888 0.475 . . . . 0.0 111.572 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.99 50.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.622 0.769 . . . . 0.0 112.515 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -35.31 80.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 112.273 -177.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.4 -35.0 75.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.054 0.843 . . . . 0.0 112.574 172.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.98 -1.68 48.98 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.097 1.359 . . . . 0.0 114.222 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.731 0 C-N-CA 124.901 1.238 . . . . 0.0 115.395 178.162 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 -31.46 44.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 113.243 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.83 -40.22 87.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.241 0.543 . . . . 0.0 111.461 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 mt -65.84 -48.3 72.08 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.942 0.897 . . . . 0.0 111.226 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.94 -38.71 76.46 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.106 0.866 . . . . 0.0 112.94 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.54 75.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.913 0.885 . . . . 0.0 111.874 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.16 -34.96 75.79 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.218 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.9 -41.65 70.99 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.834 1.654 . . . . 0.0 112.323 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.21 -34.28 74.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.404 1.002 . . . . 0.0 112.612 169.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.13 68.75 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.65 -0.656 . . . . 0.0 111.96 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -81.66 -32.59 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 120.849 -1.157 . . . . 0.0 112.036 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -66.65 -32.19 73.36 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 112.386 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.55 9.78 22.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.815 1.246 . . . . 0.0 113.414 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 t30 59.7 27.1 16.29 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.656 1.982 . . . . 0.0 114.926 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -87.36 -32.14 19.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.005 1.322 . . . . 0.0 112.353 172.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 138.64 47.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.408 1.483 . . . . 0.0 110.088 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -87.29 154.94 20.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.219 1.008 . . . . 0.0 112.625 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -54.89 -49.1 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.695 1.198 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.59 -26.27 57.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.284 -0.885 . . . . 0.0 113.279 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -70.8 -39.61 73.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.662 -0.648 . . . . 0.0 110.151 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.84 69.56 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.853 -1.155 . . . . 0.0 112.727 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.13 -43.61 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.449 0.7 . . . . 0.0 111.118 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 -26.94 64.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.797 1.18 . . . . 0.0 113.053 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 124.704 1.202 . . . . 0.0 113.261 172.013 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.43 -34.23 61.02 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.007 -1.058 . . . . 0.0 113.013 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.54 -51.57 68.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.962 0.905 . . . . 0.0 110.78 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.15 -39.85 94.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.766 0.826 . . . . 0.0 111.613 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.7 -43.69 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.016 0.926 . . . . 0.0 111.275 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.43 -42.39 98.67 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.683 0.793 . . . . 0.0 112.199 171.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.4 m -64.76 -44.55 89.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.615 0.766 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.987 1.315 . . . . 0.0 111.885 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.73 -44.49 85.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.659 0.784 . . . . 0.0 112.526 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.98 -32.96 71.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.805 0.73 . . . . 0.0 112.586 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.34 -14.38 61.28 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.89 1.276 . . . . 0.0 113.486 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.26 12.69 81.89 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.017 1.294 . . . . 0.0 114.451 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.8 89.09 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 124.707 1.146 . . . . 0.0 114.557 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.27 136.41 39.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.887 1.675 . . . . 0.0 110.687 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.71 155.72 33.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.579 0.752 . . . . 0.0 111.897 172.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -60.62 -40.05 90.44 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.299 -0.876 . . . . 0.0 112.598 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.3 88.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.599 0.76 . . . . 0.0 112.414 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.85 -38.85 66.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 111.982 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.56 84.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.8 -43.74 94.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.555 0.742 . . . . 0.0 112.279 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -52.09 66.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.91 0.884 . . . . 0.0 112.29 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mp -70.93 -35.58 72.3 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.97 1.308 . . . . 0.0 112.396 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.58 -34.5 77.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.245 0.93 . . . . 0.0 112.563 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.44 -0.3 25.43 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 170.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.548 0 C-N-CA 125.419 1.485 . . . . 0.0 115.561 178.595 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.43 30.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.913 0.885 . . . . 0.0 113.108 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.99 -35.87 81.76 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.884 0.874 . . . . 0.0 112.074 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.89 -49.8 66.75 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.431 1.092 . . . . 0.0 111.358 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.7 -37.96 74.41 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.77 87.94 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.583 0.753 . . . . 0.0 112.335 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.94 -38.23 37.7 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.586 1.154 . . . . 0.0 111.93 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.81 -36.7 84.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.635 1.174 . . . . 0.0 112.238 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -60.91 -33.71 73.56 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 112.811 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 -32.98 63.87 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.663 -0.648 . . . . 0.0 112.118 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -83.08 -31.83 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.228 -0.92 . . . . 0.0 111.818 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.26 -32.76 72.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.456 1.102 . . . . 0.0 112.482 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -97.8 15.9 22.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.542 1.537 . . . . 0.0 113.156 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 54.99 26.04 7.57 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.529 2.332 . . . . 0.0 116.195 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -83.57 -25.88 30.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.934 1.294 . . . . 0.0 112.654 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.38 135.64 54.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.948 1.699 . . . . 0.0 109.272 -175.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 m -83.91 157.15 22.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.124 0.97 . . . . 0.0 112.961 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.99 -49.43 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.24 -31.7 67.86 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.184 -0.947 . . . . 0.0 112.568 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -66.71 -44.18 82.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.037 0.935 . . . . 0.0 110.508 173.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -27.6 69.23 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.383 -0.823 . . . . 0.0 112.724 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.43 -38.72 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.96 0.904 . . . . 0.0 111.467 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -28.76 60.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.125 -0.984 . . . . 0.0 113.438 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 124.639 1.176 . . . . 0.0 113.712 175.265 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 N--CA 1.472 0.675 0 CA-C-O 120.957 0.408 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.44 -30.9 70.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 112.99 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -62.43 -52.62 62.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.197 0.908 . . . . 0.0 110.459 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.63 -41.2 97.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.471 0.709 . . . . 0.0 111.456 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.18 -47.68 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.278 1.031 . . . . 0.0 111.191 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.62 -39.36 94.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.658 0.663 . . . . 0.0 111.69 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.2 m -62.45 -45.16 94.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.307 0.643 . . . . 0.0 111.101 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.47 -41.39 84.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.703 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.51 -44.61 95.83 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.874 0.761 . . . . 0.0 111.48 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.98 -37.12 75.65 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.907 -0.495 . . . . 0.0 112.127 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.88 -17.94 62.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.62 75.38 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.859 1.218 . . . . 0.0 114.349 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.1 1.85 83.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.157 1.837 . . . . 0.0 114.892 173.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -142.96 139.58 30.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.093 1.757 . . . . 0.0 110.653 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.0 154.02 39.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.575 0.75 . . . . 0.0 112.26 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -60.09 -41.31 92.23 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 112.254 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.32 99.06 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.39 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.12 82.53 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.767 -0.583 . . . . 0.0 111.643 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.13 78.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.324 -0.86 . . . . 0.0 111.423 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.26 -39.53 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.25 -0.906 . . . . 0.0 112.579 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.26 -55.08 27.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.574 0.749 . . . . 0.0 112.315 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.9 -31.18 68.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.812 1.245 . . . . 0.0 112.883 -174.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -34.41 73.26 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.113 0.87 . . . . 0.0 112.818 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.9 59.95 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 168.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.289 0 C-N-CA 125.036 1.303 . . . . 0.0 114.945 -177.794 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.31 39.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.795 0.838 . . . . 0.0 112.293 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -70.26 -34.59 72.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.891 0.476 . . . . 0.0 112.106 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.88 -47.58 71.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 123.607 0.763 . . . . 0.0 111.33 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.04 -39.84 79.43 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.572 1.078 . . . . 0.0 112.664 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.03 79.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.646 0.779 . . . . 0.0 112.457 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.89 -47.67 83.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.177 1.391 . . . . 0.0 111.299 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.55 -44.18 83.09 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.816 1.646 . . . . 0.0 111.6 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -57.39 -34.87 69.32 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.127 -0.983 . . . . 0.0 112.028 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.47 -33.94 60.87 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.03 -31.34 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.959 1.254 . . . . 0.0 112.466 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -62.91 -28.84 70.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.349 1.06 . . . . 0.0 112.263 169.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -96.33 11.33 35.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.528 1.931 . . . . 0.0 113.596 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 55.16 25.75 7.56 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.959 2.504 . . . . 0.0 116.125 177.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -94.22 -14.87 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.602 1.561 . . . . 0.0 114.127 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 141.75 51.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.008 1.723 . . . . 0.0 108.719 172.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -89.94 156.38 18.48 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.73 0.812 . . . . 0.0 112.931 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.45 -52.24 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.419 1.488 . . . . 0.0 111.71 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -79.12 -21.81 46.07 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.628 -0.67 . . . . 0.0 112.415 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -72.68 -40.67 66.09 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.244 -0.91 . . . . 0.0 110.893 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.14 69.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.231 -0.918 . . . . 0.0 112.335 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.27 -45.77 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.871 170.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -27.95 68.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.224 1.374 . . . . 0.0 113.62 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 124.479 1.112 . . . . 0.0 113.524 173.484 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 CA--C 1.539 0.542 0 CA-C-O 120.746 0.308 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.79 64.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.795 0.838 . . . . 0.0 112.642 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.77 -41.41 95.89 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.77 -35.35 67.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.747 0.703 . . . . 0.0 111.492 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.5 -45.65 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.999 0.919 . . . . 0.0 110.452 170.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -44.51 96.51 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 112.047 173.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -59.53 -47.14 86.7 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.835 0.743 . . . . 0.0 111.667 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -61.74 -36.51 81.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.816 1.246 . . . . 0.0 112.388 175.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -74.26 -40.23 62.48 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.341 1.056 . . . . 0.0 113.665 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -73.67 -32.67 64.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.403 -0.811 . . . . 0.0 112.309 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.38 -16.44 64.24 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.472 1.109 . . . . 0.0 113.072 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.52 5.88 88.03 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.596 1.094 . . . . 0.0 114.788 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.7 74.63 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 118.594 1.197 . . . . 0.0 113.721 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 tp -105.34 142.38 35.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.97 1.708 . . . . 0.0 110.99 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -85.56 158.76 20.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.05 0.94 . . . . 0.0 111.1 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttp-105 -66.46 -32.01 73.1 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.187 -0.945 . . . . 0.0 112.64 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.66 90.45 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.559 0.744 . . . . 0.0 112.108 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.45 86.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.872 0.869 . . . . 0.0 111.9 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.0 93.82 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.938 0.79 . . . . 0.0 111.869 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -61.89 -41.42 97.86 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.566 -0.709 . . . . 0.0 112.352 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.25 77.11 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.633 0.651 . . . . 0.0 111.021 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.08 -37.56 66.73 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.312 1.445 . . . . 0.0 112.671 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.13 -33.51 74.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.71 -2.62 33.85 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 C-N-CA 125.212 1.386 . . . . 0.0 115.778 177.6 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.98 51.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.182 0.993 . . . . 0.0 113.21 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -76.53 -31.43 57.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.83 -48.71 75.72 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.28 0.632 . . . . 0.0 111.044 170.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.95 -38.62 76.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.244 0.929 . . . . 0.0 112.364 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.43 70.0 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.634 0.774 . . . . 0.0 112.165 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.14 -41.69 98.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.419 1.487 . . . . 0.0 112.14 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.68 -44.17 71.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.385 1.874 . . . . 0.0 111.819 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -59.55 -34.99 73.36 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.163 -0.96 . . . . 0.0 112.201 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.47 -33.8 65.03 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.573 -0.705 . . . . 0.0 112.759 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.31 -31.6 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.759 -1.213 . . . . 0.0 112.519 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -65.71 -27.32 68.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.933 0.893 . . . . 0.0 113.119 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -96.85 11.96 33.89 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.959 1.304 . . . . 0.0 113.239 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 t30 59.47 27.11 16.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.728 2.011 . . . . 0.0 115.424 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -90.73 -22.51 21.05 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.261 1.425 . . . . 0.0 113.273 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.32 139.93 53.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.604 1.962 . . . . 0.0 109.277 -178.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.3 m -89.28 158.48 17.82 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.193 0.997 . . . . 0.0 113.448 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.6 mm -56.99 -50.04 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.223 -0.923 . . . . 0.0 111.08 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.91 -35.72 82.07 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.419 -0.801 . . . . 0.0 112.446 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -67.6 -44.95 76.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.846 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.68 -24.89 67.97 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.144 -0.972 . . . . 0.0 112.806 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -78.44 -43.07 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.152 0.981 . . . . 0.0 111.487 171.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -30.02 66.28 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.954 -1.092 . . . . 0.0 112.79 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.435 1.094 . . . . 0.0 113.391 174.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.478 0.18 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.93 -32.95 71.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -62.73 -50.95 69.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.391 1.076 . . . . 0.0 111.04 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.08 -42.76 99.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.694 1.197 . . . . 0.0 111.459 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.26 -47.29 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.374 1.07 . . . . 0.0 110.851 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.91 -39.42 94.49 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.45 0.7 . . . . 0.0 112.132 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -63.31 -46.83 84.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.772 0.829 . . . . 0.0 110.837 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -65.59 -39.73 91.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.213 0.605 . . . . 0.0 112.143 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.09 -47.64 82.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.253 0.621 . . . . 0.0 111.813 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.29 -34.75 78.06 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -77.77 -3.05 39.38 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 9.86 86.19 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.691 1.139 . . . . 0.0 115.644 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.02 -9.36 86.76 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.185 1.374 . . . . 0.0 114.188 174.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.5 tp -131.98 138.47 48.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.308 1.843 . . . . 0.0 110.392 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.22 154.01 31.43 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 0.0 112.058 174.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -63.7 -36.02 82.46 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.223 -0.923 . . . . 0.0 112.466 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.51 97.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.115 0.966 . . . . 0.0 112.61 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.1 -38.94 72.37 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.533 0.733 . . . . 0.0 111.506 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.6 84.98 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.583 -0.698 . . . . 0.0 111.434 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.06 -43.67 91.76 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.835 0.743 . . . . 0.0 111.51 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.6 -54.36 46.29 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.465 0.706 . . . . 0.0 112.202 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -67.96 -34.54 76.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.052 1.341 . . . . 0.0 112.387 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.0 -33.79 70.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.766 0.826 . . . . 0.0 112.613 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.03 22.34 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 169.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.589 0 C-N-CA 124.646 1.117 . . . . 0.0 115.215 175.717 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -33.66 57.52 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.827 0.739 . . . . 0.0 112.663 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.51 -34.93 67.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.996 0.919 . . . . 0.0 112.07 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.32 -47.89 63.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.9 0.88 . . . . 0.0 111.254 170.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.72 -39.73 71.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.716 0.806 . . . . 0.0 112.387 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 -30.23 66.77 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.69 -48.52 38.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 109.919 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -67.58 -39.99 84.87 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.425 1.49 . . . . 0.0 111.727 -174.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 p -61.85 -30.59 70.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.791 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.83 55.02 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.704 0.801 . . . . 0.0 111.74 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.51 -33.16 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.175 -0.953 . . . . 0.0 112.188 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -69.67 -19.59 63.59 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -108.32 18.79 20.64 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.185 1.794 . . . . 0.0 112.858 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 60.58 21.98 11.77 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.37 1.868 . . . . 0.0 115.255 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -85.23 -25.91 27.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.482 1.113 . . . . 0.0 112.524 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.46 151.29 51.1 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.418 1.887 . . . . 0.0 108.584 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -93.52 156.9 16.48 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.608 1.163 . . . . 0.0 112.936 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.6 -53.86 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.664 1.186 . . . . 0.0 110.477 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.39 -27.88 65.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -74.45 -42.31 59.31 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.781 0.832 . . . . 0.0 111.088 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -25.87 68.1 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 120.907 -1.121 . . . . 0.0 112.031 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.67 -43.01 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.326 1.05 . . . . 0.0 111.231 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -28.9 64.35 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.327 0.967 . . . . 0.0 113.348 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 124.108 0.963 . . . . 0.0 113.226 173.051 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.9 72.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.923 0.889 . . . . 0.0 113.19 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -60.94 -51.82 67.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 0.0 111.2 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.68 -41.45 90.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.294 1.038 . . . . 0.0 111.734 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.0 mt -62.54 -49.75 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.374 1.07 . . . . 0.0 111.339 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.5 -38.16 90.08 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.43 -0.794 . . . . 0.0 112.262 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.8 m -62.29 -45.38 93.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.558 0.617 . . . . 0.0 111.366 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -69.18 -40.23 78.25 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.493 0.588 . . . . 0.0 112.343 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.78 -46.36 89.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.941 0.896 . . . . 0.0 111.752 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.61 -35.43 72.97 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.17 -13.34 61.52 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.444 1.098 . . . . 0.0 113.516 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.08 11.76 83.28 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.686 1.136 . . . . 0.0 114.782 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.53 -9.74 86.78 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.176 1.369 . . . . 0.0 113.674 171.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -137.67 138.12 39.09 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.544 1.938 . . . . 0.0 110.143 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.56 156.67 29.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.837 0.855 . . . . 0.0 112.138 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -63.53 -35.82 81.73 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.957 -1.09 . . . . 0.0 112.739 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.65 94.64 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.809 0.844 . . . . 0.0 112.788 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.12 71.07 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.558 -0.714 . . . . 0.0 111.514 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.09 96.17 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.652 -0.655 . . . . 0.0 111.5 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.04 -43.33 95.44 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.37 59.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.537 0.608 . . . . 0.0 111.849 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -38.11 88.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.548 1.139 . . . . 0.0 112.105 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.56 -34.48 75.9 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.202 -0.936 . . . . 0.0 112.824 174.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.64 1.82 28.33 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 O-C-N 120.844 -1.16 . . . . 0.0 113.892 -179.518 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.22 56.18 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.592 0.757 . . . . 0.0 112.617 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -35.67 69.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.676 0.79 . . . . 0.0 111.529 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.64 -46.88 77.54 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.283 1.033 . . . . 0.0 111.059 169.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.61 -37.02 80.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.019 0.827 . . . . 0.0 113.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.29 87.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.55 -48.05 73.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.275 1.03 . . . . 0.0 110.958 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.9 mt -66.75 -40.03 88.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.086 1.354 . . . . 0.0 111.976 -173.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.86 -32.04 72.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.135 0.879 . . . . 0.0 113.243 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.85 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.836 0.744 . . . . 0.0 111.955 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.16 -34.22 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 121.091 -1.005 . . . . 0.0 112.143 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 tpt85 -69.96 -27.61 64.87 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.19 12.5 22.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.273 1.429 . . . . 0.0 113.208 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.24 25.22 14.62 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.919 2.087 . . . . 0.0 115.101 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -83.18 -26.34 30.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.822 1.249 . . . . 0.0 112.419 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.15 148.0 49.5 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.694 1.998 . . . . 0.0 108.497 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -91.46 165.16 13.53 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.282 -1.511 . . . . 0.0 113.452 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.87 -47.03 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.024 0.93 . . . . 0.0 110.093 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.07 -33.06 61.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.515 -0.74 . . . . 0.0 111.795 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.65 -40.22 66.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.538 0.735 . . . . 0.0 111.722 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.5 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.211 -1.556 . . . . 0.0 112.26 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.96 -44.96 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.385 1.074 . . . . 0.0 110.688 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -70.46 -28.78 65.28 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.484 1.038 . . . . 0.0 113.738 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 CA--C 1.543 0.68 0 C-N-CA 124.481 1.112 . . . . 0.0 113.31 175.002 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.19 64.43 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -59.6 -52.86 63.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.127 0.971 . . . . 0.0 111.213 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -58.65 -41.82 86.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.54 1.136 . . . . 0.0 111.715 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.94 -51.52 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.394 1.078 . . . . 0.0 111.163 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.36 -37.16 86.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.552 -0.718 . . . . 0.0 112.357 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.4 m -61.83 -47.54 84.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.616 0.767 . . . . 0.0 111.028 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -67.55 -40.32 84.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -62.89 -46.59 87.09 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.663 0.785 . . . . 0.0 112.589 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.38 -33.82 73.62 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.12 -11.95 60.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.454 1.101 . . . . 0.0 113.64 173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.73 9.14 85.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.056 1.313 . . . . 0.0 115.116 -177.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.48 -8.28 87.66 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.337 1.446 . . . . 0.0 114.209 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 tp -135.21 140.78 45.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.357 1.863 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.04 162.57 16.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -54.16 -47.42 71.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.811 1.244 . . . . 0.0 112.775 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.99 93.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.888 0.875 . . . . 0.0 112.248 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.29 65.86 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 0.0 111.512 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.28 82.07 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.974 -1.079 . . . . 0.0 112.119 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.77 -41.93 95.5 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.776 -0.578 . . . . 0.0 112.171 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.13 -50.01 62.83 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.711 0.687 . . . . 0.0 111.559 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.13 -38.02 87.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.825 0.85 . . . . 0.0 112.635 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.71 -33.2 72.17 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -2.21 39.1 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.574 0 C-N-CA 124.867 1.222 . . . . 0.0 115.363 -179.339 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.95 -40.8 30.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.607 0.763 . . . . 0.0 112.034 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -69.09 -31.66 70.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.647 0.779 . . . . 0.0 112.91 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -70.5 -48.48 55.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 110.822 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.73 -38.49 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.507 1.048 . . . . 0.0 112.501 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.87 97.22 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.277 1.031 . . . . 0.0 112.375 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.13 -50.59 53.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 111.08 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.0 mt -65.36 -36.34 83.69 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 111.58 -172.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -61.92 -32.31 72.7 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.772 0.714 . . . . 0.0 112.92 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.65 62.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.437 -0.789 . . . . 0.0 112.507 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -81.59 -32.95 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.252 -0.905 . . . . 0.0 112.002 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -63.24 -35.66 81.08 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.218 1.007 . . . . 0.0 112.863 170.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -86.09 12.85 8.71 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.573 1.149 . . . . 0.0 113.261 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.9 t30 55.96 28.81 13.22 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.138 2.175 . . . . 0.0 114.923 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -97.92 -18.17 18.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.782 1.633 . . . . 0.0 113.245 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.52 142.55 51.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 109.603 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 m -92.16 157.38 16.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.218 1.407 . . . . 0.0 112.832 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.3 mm -53.97 -53.31 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.005 1.322 . . . . 0.0 110.413 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.11 -30.88 69.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.255 0.622 . . . . 0.0 112.203 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -73.56 -35.98 65.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.247 1.019 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.46 74.11 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.842 -1.161 . . . . 0.0 111.679 173.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.12 -43.5 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.972 0.909 . . . . 0.0 110.518 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -69.71 -25.24 63.77 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.282 0.947 . . . . 0.0 113.335 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 124.136 0.975 . . . . 0.0 113.114 173.151 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.155 0.502 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.77 65.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.921 0.888 . . . . 0.0 112.633 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -59.63 -55.0 39.9 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.837 0.855 . . . . 0.0 110.594 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -58.19 -41.02 83.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.78 0.832 . . . . 0.0 111.997 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.6 mt -63.27 -48.32 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.501 1.12 . . . . 0.0 111.259 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.65 -39.3 93.44 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.373 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -61.34 -45.36 94.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.374 0.988 . . . . 0.0 111.412 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.83 -39.72 87.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.198 0.908 . . . . 0.0 112.245 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.74 -45.7 91.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.627 0.771 . . . . 0.0 112.259 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -71.53 -34.41 70.03 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.693 -0.629 . . . . 0.0 112.668 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.04 -15.42 63.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.264 1.026 . . . . 0.0 113.511 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.29 83.16 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.039 1.305 . . . . 0.0 114.537 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.56 -7.2 88.67 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.842 1.211 . . . . 0.0 114.415 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.73 140.33 46.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.993 2.117 . . . . 0.0 110.376 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.12 155.76 27.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.136 0.975 . . . . 0.0 112.105 175.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -64.71 -34.39 78.2 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.047 -1.033 . . . . 0.0 112.746 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.18 93.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.821 0.848 . . . . 0.0 112.576 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.62 70.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 112.065 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.41 90.44 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.615 -0.678 . . . . 0.0 111.28 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.17 -45.33 87.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.282 -0.886 . . . . 0.0 111.937 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.74 67.93 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.062 0.945 . . . . 0.0 112.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.2 -33.56 74.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.729 1.212 . . . . 0.0 112.705 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.26 -34.89 68.56 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.734 0.814 . . . . 0.0 112.461 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.36 63.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.962 0.905 . . . . 0.0 112.897 173.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.652 0 N-CA-C 116.978 1.551 . . . . 0.0 116.978 163.286 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -26.45 61.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.001 0.921 . . . . 0.0 112.929 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -83.05 -41.7 18.33 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.658 1.183 . . . . 0.0 111.769 172.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.18 -50.03 73.45 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.507 1.123 . . . . 0.0 111.316 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.91 -36.42 76.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.752 0.706 . . . . 0.0 112.827 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.34 65.43 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.911 0.884 . . . . 0.0 112.401 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.06 -40.05 90.61 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.348 1.459 . . . . 0.0 112.053 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.63 -39.67 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.924 1.69 . . . . 0.0 112.21 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.7 m -62.59 -33.16 74.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.306 0.957 . . . . 0.0 112.836 174.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.94 -33.59 72.32 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.478 0.581 . . . . 0.0 112.004 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.88 -32.16 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.159 -0.963 . . . . 0.0 112.351 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -62.52 -32.94 73.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.024 0.93 . . . . 0.0 112.678 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -90.26 10.24 25.51 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.65 1.58 . . . . 0.0 113.942 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t30 62.45 24.57 14.63 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.307 1.843 . . . . 0.0 114.692 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -95.29 -23.87 17.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.223 1.409 . . . . 0.0 113.059 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.4 137.39 54.34 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.299 1.84 . . . . 0.0 108.638 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -87.59 158.65 18.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.274 1.03 . . . . 0.0 113.493 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.38 -52.35 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.497 1.119 . . . . 0.0 110.457 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.55 -34.08 71.85 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.0 -1.063 . . . . 0.0 112.24 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.07 -28.8 67.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.542 1.137 . . . . 0.0 112.226 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.77 -44.38 33.2 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.392 -0.817 . . . . 0.0 111.334 170.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.97 -37.69 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.582 1.153 . . . . 0.0 111.269 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -66.35 -23.29 66.32 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.258 1.423 . . . . 0.0 113.109 172.336 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.08 64.57 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 118.997 0.817 . . . . 0.0 112.661 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.99 -54.57 43.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.908 0.883 . . . . 0.0 110.892 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.86 -38.65 91.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.838 0.855 . . . . 0.0 112.023 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.23 -47.23 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 110.953 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.86 -37.71 86.9 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.83 -0.544 . . . . 0.0 112.408 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.8 m -64.88 -43.86 91.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.885 0.766 . . . . 0.0 111.213 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -67.59 -41.28 84.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.254 1.022 . . . . 0.0 112.095 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.13 -44.83 95.77 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.274 1.03 . . . . 0.0 111.743 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -69.86 -35.29 74.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.394 0.678 . . . . 0.0 112.366 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.35 -14.97 62.36 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.986 1.314 . . . . 0.0 113.523 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.58 7.84 85.59 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.62 1.105 . . . . 0.0 114.526 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.48 -7.31 88.58 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.249 1.404 . . . . 0.0 114.673 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.0 tp -132.35 139.45 48.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.268 1.827 . . . . 0.0 110.562 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -79.2 159.97 27.13 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.546 0.738 . . . . 0.0 112.005 175.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.61 -39.61 91.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.314 1.045 . . . . 0.0 111.751 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.94 96.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.082 0.553 . . . . 0.0 112.111 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.91 77.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.242 0.617 . . . . 0.0 111.881 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.34 82.14 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.736 0.698 . . . . 0.0 111.42 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.651 0.781 . . . . 0.0 112.676 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.17 49.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.747 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.99 -32.75 71.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.648 1.179 . . . . 0.0 112.439 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.22 70.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.034 0.834 . . . . 0.0 112.698 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.87 -4.27 39.89 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 171.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.517 0 C-N-CA 124.818 1.199 . . . . 0.0 116.057 174.56 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.69 63.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.807 0.843 . . . . 0.0 112.657 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.17 -39.16 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.118 0.967 . . . . 0.0 112.464 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.38 -49.01 68.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.446 1.098 . . . . 0.0 111.572 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.53 -37.57 81.59 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.194 -0.941 . . . . 0.0 112.764 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.48 85.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.889 0.875 . . . . 0.0 112.388 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.99 -48.8 70.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.354 1.061 . . . . 0.0 111.349 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.02 -41.62 97.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.349 1.459 . . . . 0.0 111.775 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m -60.55 -33.76 73.15 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.276 -0.89 . . . . 0.0 112.936 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.54 63.98 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.674 0.67 . . . . 0.0 112.276 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.4 -33.22 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.64 1.109 . . . . 0.0 112.774 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -65.3 -29.55 70.32 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.15 0.98 . . . . 0.0 112.392 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -90.45 8.32 34.36 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.62 1.968 . . . . 0.0 113.144 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.72 26.93 15.23 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.54 1.936 . . . . 0.0 115.159 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -93.44 -21.75 19.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.658 1.583 . . . . 0.0 113.065 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.13 137.86 54.8 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.373 1.869 . . . . 0.0 109.057 -178.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -85.89 156.31 20.57 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.782 0.833 . . . . 0.0 112.863 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.5 mm -52.43 -53.98 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.26 1.424 . . . . 0.0 111.487 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.05 -24.95 59.6 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -69.08 -43.0 75.45 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.313 -0.867 . . . . 0.0 110.419 169.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.41 67.38 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.873 -1.142 . . . . 0.0 112.885 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.8 t -74.21 -46.69 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.109 0.868 . . . . 0.0 110.724 170.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -29.25 68.07 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.765 1.166 . . . . 0.0 113.198 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 124.37 1.068 . . . . 0.0 113.129 173.505 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.32 -34.98 67.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -63.33 -49.92 72.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.787 1.176 . . . . 0.0 111.408 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -61.03 -41.99 97.61 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.71 1.204 . . . . 0.0 111.652 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.42 -48.19 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.272 1.029 . . . . 0.0 110.919 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.59 -39.33 93.39 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.234 0.47 . . . . 0.0 112.061 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.2 m -62.02 -45.94 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.403 0.681 . . . . 0.0 110.718 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -67.72 -37.57 82.41 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.35 0.66 . . . . 0.0 112.595 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -66.47 -41.34 89.18 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.753 0.821 . . . . 0.0 112.654 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -73.42 -33.43 64.94 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.462 -0.774 . . . . 0.0 112.401 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.88 -12.44 61.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.549 1.14 . . . . 0.0 113.496 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 7.1 88.52 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.906 1.241 . . . . 0.0 114.625 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.26 -13.74 83.29 Favored Glycine 0 CA--C 1.545 1.917 0 C-N-CA 125.126 1.346 . . . . 0.0 114.006 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -122.51 136.17 54.82 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.877 1.671 . . . . 0.0 110.617 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.86 156.1 30.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.216 1.006 . . . . 0.0 112.219 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -58.85 -39.33 80.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.431 0.692 . . . . 0.0 112.722 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.22 98.42 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.323 0.649 . . . . 0.0 112.009 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.08 -39.83 68.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.663 0.785 . . . . 0.0 111.808 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.04 91.14 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.534 -0.729 . . . . 0.0 111.899 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.6 -45.63 92.03 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.671 -0.643 . . . . 0.0 111.948 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.48 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.843 0.857 . . . . 0.0 111.99 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.46 -31.86 70.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.638 1.175 . . . . 0.0 112.284 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.38 -34.56 68.03 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.085 0.857 . . . . 0.0 112.955 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.41 -1.76 46.88 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 O-C-N 121.027 -1.046 . . . . 0.0 114.49 -178.776 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.2 64.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -74.61 -35.43 62.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.824 0.85 . . . . 0.0 112.154 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.18 -48.69 64.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.314 1.046 . . . . 0.0 111.138 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.92 -39.48 74.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 112.986 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.08 86.01 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.51 -43.65 59.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.233 1.413 . . . . 0.0 110.98 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.72 -38.56 89.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 112.606 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -62.54 -30.41 71.28 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.087 0.858 . . . . 0.0 113.011 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.6 69.09 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.097 0.862 . . . . 0.0 111.664 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.61 -35.5 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.92 -1.113 . . . . 0.0 112.244 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -70.08 -24.7 63.27 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.11 14.16 24.82 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.477 1.511 . . . . 0.0 113.215 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.88 27.05 15.65 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.73 2.012 . . . . 0.0 114.705 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -83.59 -27.71 29.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.75 1.22 . . . . 0.0 112.334 170.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 143.09 51.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.815 1.646 . . . . 0.0 109.312 -172.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -81.6 155.61 25.58 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.14 -0.975 . . . . 0.0 112.474 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.76 -46.67 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.076 1.35 . . . . 0.0 110.696 168.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.66 -35.5 52.34 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.147 -0.971 . . . . 0.0 112.233 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.52 -26.62 62.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.082 0.953 . . . . 0.0 112.197 175.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.46 -40.66 64.0 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.005 -1.059 . . . . 0.0 111.768 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.21 -40.94 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 110.759 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -68.8 -24.28 64.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.69 1.196 . . . . 0.0 112.524 173.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.23 75.85 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.29 -0.881 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -56.99 -52.7 64.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.712 1.205 . . . . 0.0 111.415 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.94 -43.02 95.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.604 1.162 . . . . 0.0 111.536 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.09 -47.55 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.832 0.853 . . . . 0.0 111.343 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.85 -38.32 90.35 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.65 -0.657 . . . . 0.0 111.545 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -61.48 -45.9 92.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 0.0 110.887 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -68.23 -41.91 80.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.019 0.927 . . . . 0.0 112.537 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.23 -45.98 90.89 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.561 1.144 . . . . 0.0 112.098 177.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -70.44 -34.38 72.39 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.81 -13.13 61.24 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.158 0.983 . . . . 0.0 113.312 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.27 82.2 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.809 1.195 . . . . 0.0 114.617 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.53 -8.27 87.71 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.095 1.331 . . . . 0.0 114.135 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -138.05 141.27 40.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.234 1.813 . . . . 0.0 110.788 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.44 154.53 23.91 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.254 1.022 . . . . 0.0 111.604 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.55 -39.7 84.86 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.292 0.637 . . . . 0.0 112.521 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.6 94.67 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 0.0 112.296 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.13 67.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.634 0.774 . . . . 0.0 111.595 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.431 0.693 . . . . 0.0 111.396 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.61 -42.39 88.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.043 0.937 . . . . 0.0 112.688 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.11 79.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.727 0.811 . . . . 0.0 113.059 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -32.82 18.34 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.184 1.394 . . . . 0.0 112.34 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.12 -35.51 79.89 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.011 1.325 . . . . 0.0 112.233 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -15.56 57.57 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 C-N-CA 125.034 1.302 . . . . 0.0 115.927 -179.346 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.242 -0.409 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.25 28.48 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.777 0.717 . . . . 0.0 112.391 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.52 -42.21 95.99 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.678 0.791 . . . . 0.0 111.607 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -71.64 -47.62 53.24 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.869 1.267 . . . . 0.0 112.082 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.0 -38.41 82.53 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.56 1.073 . . . . 0.0 112.615 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.81 93.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.699 0.799 . . . . 0.0 112.461 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.12 -49.1 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.289 1.035 . . . . 0.0 111.1 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.18 -39.91 86.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.158 1.383 . . . . 0.0 111.87 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -62.8 -30.03 71.16 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.256 -0.903 . . . . 0.0 112.605 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.55 -35.54 63.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.197 0.599 . . . . 0.0 112.546 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 p -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.247 -0.908 . . . . 0.0 112.166 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.05 -33.73 76.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 112.484 173.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.8 15.29 13.22 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.379 1.472 . . . . 0.0 113.267 174.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.9 t30 60.62 20.77 10.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.143 1.777 . . . . 0.0 115.431 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -84.73 -28.1 26.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.696 1.198 . . . . 0.0 112.569 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.01 141.87 51.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.87 1.668 . . . . 0.0 109.147 -173.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 m -89.83 159.25 17.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.666 1.186 . . . . 0.0 112.475 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.5 mm -53.37 -53.26 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.748 1.219 . . . . 0.0 110.875 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.0 -30.11 67.34 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.744 -0.598 . . . . 0.0 112.157 -175.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -74.16 -37.56 63.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.551 0.74 . . . . 0.0 111.211 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.7 74.36 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.66 -1.275 . . . . 0.0 111.981 174.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.9 t -71.48 -40.79 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.709 0.804 . . . . 0.0 110.917 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -26.02 62.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.094 0.861 . . . . 0.0 113.269 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.697 1.199 . . . . 0.0 113.694 175.604 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 121.604 0.716 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.9 85.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.243 1.017 . . . . 0.0 112.645 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.86 -51.95 67.51 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.956 0.902 . . . . 0.0 111.1 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.62 -41.67 95.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 111.599 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.91 -48.57 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.073 0.949 . . . . 0.0 111.244 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.84 -37.32 86.35 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.598 -0.689 . . . . 0.0 111.697 175.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.3 m -63.13 -45.91 89.74 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.981 0.809 . . . . 0.0 110.835 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -66.51 -40.85 89.43 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.673 0.789 . . . . 0.0 112.354 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.31 -45.78 89.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.887 0.875 . . . . 0.0 111.995 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -71.91 -34.52 69.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.36 -15.15 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.224 1.01 . . . . 0.0 113.561 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.26 11.92 81.49 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.725 1.155 . . . . 0.0 114.7 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.02 90.01 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.256 1.408 . . . . 0.0 114.17 171.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 tp -137.43 140.49 41.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 110.664 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -79.99 157.79 26.72 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.742 0.817 . . . . 0.0 112.42 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -65.8 -34.29 77.82 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.175 -0.953 . . . . 0.0 112.688 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.25 93.6 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.142 0.977 . . . . 0.0 112.358 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.78 -39.13 70.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.453 0.701 . . . . 0.0 111.826 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.7 95.28 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.589 -0.695 . . . . 0.0 111.279 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.58 -46.95 85.85 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.815 0.734 . . . . 0.0 112.051 174.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.72 55.12 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.553 0.741 . . . . 0.0 111.709 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.83 -37.41 81.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.683 1.193 . . . . 0.0 112.187 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.66 -33.96 75.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.998 0.817 . . . . 0.0 113.129 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.55 25.97 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 C-N-CA 124.738 1.161 . . . . 0.0 114.69 -177.406 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.45 -34.33 58.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.498 0.719 . . . . 0.0 112.781 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.92 -36.62 62.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.552 1.141 . . . . 0.0 112.104 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.1 -50.13 67.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.296 1.038 . . . . 0.0 111.267 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.19 -38.03 70.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.177 0.991 . . . . 0.0 113.075 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.56 78.91 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.725 0.81 . . . . 0.0 112.449 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.06 -32.71 67.33 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.018 1.327 . . . . 0.0 112.617 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -72.58 -37.86 68.04 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.467 1.507 . . . . 0.0 112.108 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -65.59 -35.38 80.65 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.064 -1.022 . . . . 0.0 112.366 169.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.05 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -75.95 -30.48 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 120.635 -1.291 . . . . 0.0 112.786 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -68.08 -29.7 68.72 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.1 10.56 40.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.256 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.268 3.3 t-20 51.89 36.12 17.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.104 2.561 . . . . 0.0 114.536 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -77.32 -27.44 52.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.199 1.0 . . . . 0.0 110.808 161.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.05 162.9 15.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.787 2.035 . . . . 0.0 109.295 164.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.8 m -121.33 158.01 29.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.52 1.528 . . . . 0.0 111.368 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mm -53.5 -47.66 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.884 1.274 . . . . 0.0 111.374 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.77 -29.26 58.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.45 -0.781 . . . . 0.0 112.6 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -73.42 -32.56 64.49 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.427 -0.795 . . . . 0.0 110.886 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.89 87.03 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 120.454 -1.404 . . . . 0.0 111.558 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.39 -38.14 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.763 0.825 . . . . 0.0 110.622 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -71.96 -27.73 62.97 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.076 0.951 . . . . 0.0 112.937 172.677 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.99 62.11 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.465 -0.772 . . . . 0.0 112.875 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.9 -51.62 69.25 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 112.215 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -64.16 -41.1 97.29 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.881 0.472 . . . . 0.0 111.366 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.87 -48.14 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.478 1.111 . . . . 0.0 111.138 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.3 -40.14 93.41 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.678 -0.639 . . . . 0.0 112.007 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.8 m -61.78 -46.98 87.22 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 0.698 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -68.97 -38.09 79.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.662 0.785 . . . . 0.0 112.433 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -61.81 -44.21 97.32 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.314 0.961 . . . . 0.0 112.023 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -73.77 -33.57 64.32 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.33 -22.77 59.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.494 1.118 . . . . 0.0 113.799 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.09 10.28 62.7 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.577 1.084 . . . . 0.0 114.759 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.67 86.94 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.665 1.126 . . . . 0.0 113.766 168.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 tp -139.75 139.39 36.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.021 1.728 . . . . 0.0 111.525 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.63 157.92 22.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.458 1.103 . . . . 0.0 112.282 174.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.64 -40.48 83.53 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.633 0.773 . . . . 0.0 112.785 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.722 0.809 . . . . 0.0 112.155 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.55 70.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.622 0.769 . . . . 0.0 111.772 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.17 86.66 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.304 -0.872 . . . . 0.0 111.805 175.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -61.36 -45.65 93.52 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.752 -0.593 . . . . 0.0 111.652 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.97 75.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.483 0.713 . . . . 0.0 112.5 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 mp -71.54 -35.37 70.62 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.811 1.244 . . . . 0.0 112.204 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.94 -35.53 80.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.949 0.795 . . . . 0.0 112.789 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.15 -1.89 34.84 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.565 0 C-N-CA 124.794 1.188 . . . . 0.0 115.68 176.088 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.1 141.02 20.47 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.854 3.036 . . . . 0.0 112.951 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.27 -164.44 14.74 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.988 1.28 . . . . 0.0 115.24 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m -76.82 -19.11 57.92 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.307 1.043 . . . . 0.0 113.043 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -83.05 -36.43 24.95 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.099 1.36 . . . . 0.0 113.247 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.257 5.8 t 47.4 -161.1 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.646 2.378 . . . . 0.0 114.617 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.64 19.03 78.96 Favored Glycine 0 CA--C 1.539 1.566 0 O-C-N 120.709 -1.244 . . . . 0.0 115.879 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.52 64.32 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.57 -145.48 49.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.436 1.017 . . . . 0.0 114.651 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -113.79 151.84 45.05 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.991 1.716 . . . . 0.0 110.973 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.71 141.75 80.42 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.289 2.659 . . . . 0.0 112.078 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -104.86 154.98 19.34 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 112.882 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -56.2 -26.47 51.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.443 0.697 . . . . 0.0 112.195 164.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -21.72 64.07 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.38 -42.09 13.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.565 1.146 . . . . 0.0 112.223 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -75.24 -47.71 26.83 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 124.899 1.28 . . . . 0.0 112.172 -174.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.65 -34.12 77.14 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.243 -0.91 . . . . 0.0 112.153 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.3 89.05 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.407 1.083 . . . . 0.0 112.672 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.17 -42.44 31.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 111.506 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.29 -36.11 82.12 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.15 1.38 . . . . 0.0 113.072 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.4 m -61.51 -36.39 80.4 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.306 0.957 . . . . 0.0 112.541 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.44 71.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.022 0.374 . . . . 0.0 111.751 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 p -84.29 -31.34 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.084 -1.01 . . . . 0.0 112.12 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -62.75 -35.85 81.12 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.148 0.979 . . . . 0.0 112.556 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -88.87 8.54 28.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.46 1.504 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.6 27.51 15.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.347 1.859 . . . . 0.0 114.397 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -82.93 -28.5 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.297 1.039 . . . . 0.0 112.038 168.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.16 138.98 53.29 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.017 1.727 . . . . 0.0 109.442 -171.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -80.52 157.01 26.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.919 0.888 . . . . 0.0 112.766 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mm -55.43 -45.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.112 1.365 . . . . 0.0 110.148 168.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.64 -36.32 73.36 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.307 -0.871 . . . . 0.0 111.533 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -43.01 73.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.074 0.95 . . . . 0.0 110.7 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 -25.35 68.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.718 -1.239 . . . . 0.0 113.121 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -77.47 -41.12 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.717 1.207 . . . . 0.0 111.198 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -29.11 60.31 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.26 -17.02 53.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.42 1.088 . . . . 0.0 113.921 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.7 tp -72.2 -40.6 67.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.166 1.386 . . . . 0.0 113.551 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.2 m 54.53 82.05 0.25 Allowed Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.168 1.387 . . . . 0.0 110.693 -154.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -59.85 145.78 97.38 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.595 2.863 . . . . 0.0 114.603 -169.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -79.81 153.51 29.08 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.598 1.159 . . . . 0.0 110.994 167.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -30.19 69.22 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.731 0.813 . . . . 0.0 112.735 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.74 -174.37 39.09 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.687 1.137 . . . . 0.0 113.488 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.68 -164.6 34.19 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.751 1.167 . . . . 0.0 113.14 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.49 -134.25 33.09 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.143 0.878 . . . . 0.0 113.451 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -138.4 167.67 21.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.947 1.699 . . . . 0.0 111.332 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.25 -143.53 34.59 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 123.941 0.782 . . . . 0.0 112.552 -168.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.09 107.05 1.91 Allowed Glycine 0 CA--C 1.533 1.212 0 CA-C-N 117.761 0.781 . . . . 0.0 111.927 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.94 -25.33 75.71 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.957 0.789 . . . . 0.0 114.813 -171.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.5 m -80.3 43.21 0.62 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.231 1.812 . . . . 0.0 113.484 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.4 tpt -82.66 97.95 8.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.572 1.149 . . . . 0.0 109.239 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -78.94 150.66 32.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.291 1.036 . . . . 0.0 113.007 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.75 66.08 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.32 -50.47 72.85 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.11 0.964 . . . . 0.0 111.547 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.66 -38.75 87.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.321 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.1 -50.51 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.701 0.8 . . . . 0.0 111.194 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.86 -39.91 94.31 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.119 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -60.29 -46.76 88.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.914 0.779 . . . . 0.0 110.961 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.34 -38.44 71.64 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.38 -44.88 95.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.879 0.763 . . . . 0.0 111.375 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -70.98 -36.2 72.42 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.72 -15.33 62.19 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.386 1.075 . . . . 0.0 113.375 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.33 10.52 79.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.841 1.21 . . . . 0.0 114.403 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.68 -5.97 89.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.562 1.554 . . . . 0.0 114.622 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.5 tp -133.05 137.29 46.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.095 1.758 . . . . 0.0 110.571 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.16 154.47 40.3 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 0.0 112.425 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -61.27 -38.01 85.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.491 0.716 . . . . 0.0 112.302 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.18 96.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.229 1.012 . . . . 0.0 111.986 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.04 81.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.566 0.746 . . . . 0.0 111.889 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.62 77.12 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.069 0.548 . . . . 0.0 111.223 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.02 -42.52 99.25 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.388 -0.82 . . . . 0.0 112.312 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.96 70.63 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.357 0.663 . . . . 0.0 112.483 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 mp -71.14 -31.97 68.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.232 1.013 . . . . 0.0 112.425 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.71 -36.22 75.72 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.004 0.82 . . . . 0.0 112.688 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.99 60.81 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.2 30.58 19.39 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.154 1.359 . . . . 0.0 114.791 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -132.4 173.76 10.96 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.405 1.882 . . . . 0.0 112.644 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.3 p -81.65 145.34 54.3 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.291 1.036 . . . . 0.0 112.872 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.62 163.51 38.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.888 2.392 . . . . 0.0 112.087 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.05 153.79 48.12 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.914 1.286 . . . . 0.0 113.07 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.18 163.1 38.6 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.289 1.836 . . . . 0.0 111.423 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.44 121.84 85.89 Favored Pre-proline 0 CA--C 1.554 1.122 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.703 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -81.35 74.01 5.64 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.124 3.216 . . . . 0.0 111.438 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -76.79 150.66 81.8 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 125.935 1.694 . . . . 0.0 112.212 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.257 1.446 0 C-N-CA 123.539 2.826 . . . . 0.0 113.089 178.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.52 159.14 46.79 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.803 3.002 . . . . 0.0 113.349 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.19 -142.46 48.44 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.277 0.942 . . . . 0.0 114.328 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 m -87.19 12.14 12.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.207 1.403 . . . . 0.0 114.098 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.99 140.6 58.33 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.287 1.035 . . . . 0.0 112.672 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -87.32 -17.98 31.18 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -168.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.11 12.74 56.07 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 119.224 0.92 . . . . 0.0 114.56 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.27 30.41 7.9 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.822 1.649 . . . . 0.0 114.901 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.67 152.81 52.55 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.446 1.022 . . . . 0.0 114.193 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -138.49 157.5 72.17 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.862 1.665 . . . . 0.0 112.902 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -63.42 154.8 66.17 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 124.094 3.196 . . . . 0.0 113.666 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 t -78.59 140.79 38.44 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.484 0.714 . . . . 0.0 111.91 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -56.54 -28.85 61.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.66 0.784 . . . . 0.0 112.761 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.25 -27.74 60.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.638 0.775 . . . . 0.0 112.637 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.87 -41.08 27.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.015 0.926 . . . . 0.0 112.039 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.77 -53.57 48.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.223 1.009 . . . . 0.0 111.571 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.51 -34.0 76.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.218 -0.927 . . . . 0.0 113.071 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.85 75.71 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.626 0.771 . . . . 0.0 112.268 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.19 -51.71 42.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.745 1.218 . . . . 0.0 111.101 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.4 -38.68 87.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.767 1.227 . . . . 0.0 112.0 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.4 m -60.53 -27.18 67.43 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.47 -35.83 24.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.499 0.59 . . . . 0.0 112.497 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.45 -36.72 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.83 1.195 . . . . 0.0 112.367 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -59.93 -28.67 67.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.798 1.239 . . . . 0.0 112.664 172.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -102.13 16.03 27.32 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.466 1.906 . . . . 0.0 113.236 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.9 t30 60.26 20.8 10.23 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.428 1.891 . . . . 0.0 114.74 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -91.62 -17.94 24.78 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.435 1.494 . . . . 0.0 113.515 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.12 138.75 49.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 109.287 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -83.58 158.22 22.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.449 1.1 . . . . 0.0 112.726 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.59 -52.77 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.549 1.14 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.16 -25.96 42.78 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.631 -0.668 . . . . 0.0 112.784 -173.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -69.09 -37.77 78.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.35 0.66 . . . . 0.0 110.82 169.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.96 -32.1 73.12 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.747 -1.22 . . . . 0.0 112.481 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.16 -38.57 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.3 -0.875 . . . . 0.0 110.635 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -22.77 55.63 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -89.51 -24.55 21.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.465 1.106 . . . . 0.0 113.2 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -65.81 -44.3 86.08 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.911 1.285 . . . . 0.0 112.525 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.2 m 48.08 73.73 0.94 Allowed Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 126.925 2.09 . . . . 0.0 114.762 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -65.88 167.83 16.77 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.872 2.381 . . . . 0.0 112.041 165.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -74.22 -24.27 59.3 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? 47.13 47.18 16.34 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.679 1.992 . . . . 0.0 113.453 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.63 165.87 46.99 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.05 -1.031 . . . . 0.0 113.148 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.71 -16.59 63.73 Favored Glycine 0 N--CA 1.48 1.608 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -153.29 20.22 0.73 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.433 1.492 . . . . 0.0 114.585 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.8 p -87.43 -10.88 50.73 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.58 -148.72 7.99 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.807 1.194 . . . . 0.0 113.585 -174.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.75 177.26 50.26 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.115 1.34 . . . . 0.0 113.467 -175.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.38 -135.89 24.32 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.395 0.522 . . . . 0.0 112.236 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 m -61.18 144.16 54.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.47 1.108 . . . . 0.0 112.543 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.2 mmt 51.53 46.78 25.98 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.249 1.42 . . . . 0.0 113.7 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.39 157.92 34.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.692 -0.63 . . . . 0.0 110.106 155.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.9 -36.37 67.6 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.742 -1.224 . . . . 0.0 113.255 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.7 -44.2 81.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.071 1.348 . . . . 0.0 112.783 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -71.13 -41.74 70.12 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.271 1.028 . . . . 0.0 110.94 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.71 -47.83 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.237 1.015 . . . . 0.0 111.362 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.21 -36.09 82.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.599 -0.688 . . . . 0.0 111.572 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.8 m -62.01 -44.66 96.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.688 0.677 . . . . 0.0 111.362 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 -38.14 82.23 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.466 0.707 . . . . 0.0 112.461 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -70.0 -39.27 75.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -73.45 -33.88 65.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.362 0.665 . . . . 0.0 112.749 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.67 -12.18 61.2 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.548 1.139 . . . . 0.0 112.808 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.39 88.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.148 1.356 . . . . 0.0 114.222 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -12.65 84.22 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.055 1.312 . . . . 0.0 114.413 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 tp -121.18 143.27 49.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.272 1.829 . . . . 0.0 110.924 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.18 157.79 18.71 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.301 1.04 . . . . 0.0 112.045 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -59.14 -39.84 83.64 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.453 -0.779 . . . . 0.0 112.902 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.71 95.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.579 0.751 . . . . 0.0 112.46 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 -38.92 67.19 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.409 0.684 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.12 85.38 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.113 -0.992 . . . . 0.0 111.536 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.19 -43.23 92.21 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.492 -0.755 . . . . 0.0 112.321 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.67 40.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.453 0.701 . . . . 0.0 112.106 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -36.75 84.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.766 1.226 . . . . 0.0 112.415 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.47 -32.58 71.58 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.104 0.866 . . . . 0.0 113.201 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.81 -3.01 42.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.45 19.8 77.67 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.757 1.17 . . . . 0.0 115.028 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -110.11 161.33 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.451 2.3 . . . . 0.0 111.276 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.7 p -77.6 150.91 79.76 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.746 0.818 . . . . 0.0 111.982 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -57.1 155.86 27.03 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.875 3.05 . . . . 0.0 114.648 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.39 40.89 0.37 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.874 1.67 . . . . 0.0 114.014 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.66 147.85 50.07 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 120.937 -1.102 . . . . 0.0 112.361 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.24 150.74 30.1 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.852 1.261 . . . . 0.0 111.342 171.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.83 69.07 6.27 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 124.385 3.39 . . . . 0.0 110.362 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -143.88 145.77 31.86 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 127.077 2.151 . . . . 0.0 111.021 -169.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo . . . . . 0 C--O 1.25 1.107 0 C-N-CA 123.592 2.861 . . . . 0.0 113.812 164.384 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.98 -19.71 17.63 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.33 2.687 . . . . 0.0 113.894 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.53 24.73 2.76 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.107 1.813 . . . . 0.0 113.962 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.8 p -145.67 153.44 41.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.915 1.686 . . . . 0.0 112.418 -174.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -84.59 144.62 28.51 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.91 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -155.6 158.67 38.76 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.691 1.597 . . . . 0.0 111.58 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.88 158.11 51.95 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 124.646 1.117 . . . . 0.0 113.416 176.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.42 152.93 25.94 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.488 1.115 . . . . 0.0 113.178 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.94 176.55 54.65 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.808 1.194 . . . . 0.0 113.975 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.61 145.88 82.67 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.701 0.8 . . . . 0.0 111.897 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.01 148.69 57.53 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.754 2.303 . . . . 0.0 111.439 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -77.67 150.19 34.57 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.781 -0.574 . . . . 0.0 111.116 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -56.24 -26.1 50.11 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 166.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.49 44.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.157 0.983 . . . . 0.0 113.388 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -68.73 -38.74 80.39 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.588 0.709 . . . . 0.0 111.488 171.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.74 -49.45 65.94 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.299 1.039 . . . . 0.0 111.044 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -55.36 -40.78 71.71 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.663 0.665 . . . . 0.0 112.528 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.96 83.34 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.705 0.802 . . . . 0.0 112.433 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.85 -48.88 72.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.03 -41.57 95.14 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.309 1.443 . . . . 0.0 111.937 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -60.13 -27.06 66.75 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.34 -0.85 . . . . 0.0 112.941 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.14 -31.83 34.0 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.07 -33.63 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.688 -1.257 . . . . 0.0 112.344 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.85 -26.38 68.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.878 1.271 . . . . 0.0 112.625 170.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -98.23 11.4 38.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.426 1.89 . . . . 0.0 112.679 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 61.34 21.03 11.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.903 2.081 . . . . 0.0 115.214 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -99.64 -10.72 21.65 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.64 1.576 . . . . 0.0 114.365 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.68 137.47 53.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.971 1.708 . . . . 0.0 108.686 173.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -84.64 157.69 21.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.171 0.988 . . . . 0.0 112.601 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -54.44 -53.76 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.727 1.211 . . . . 0.0 110.848 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.57 -32.15 73.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.591 0.757 . . . . 0.0 111.762 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -72.33 -41.75 66.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.778 0.831 . . . . 0.0 111.297 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.38 69.56 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.379 -1.45 . . . . 0.0 112.412 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.45 -47.72 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.676 -0.64 . . . . 0.0 109.987 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -25.92 63.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.815 1.189 . . . . 0.0 113.858 -173.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.03 -19.25 44.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.56 1.144 . . . . 0.0 113.114 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 tp -80.28 -54.56 5.62 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.211 1.004 . . . . 0.0 110.873 168.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.7 m -143.93 118.7 6.08 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 126.778 2.031 . . . . 0.0 109.079 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -65.39 123.95 12.2 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 122.914 2.409 . . . . 0.0 113.462 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -134.32 -28.79 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.161 1.784 . . . . 0.0 113.971 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 58.21 -53.7 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 128.96 2.904 . . . . 0.0 116.195 -171.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.37 6.3 77.15 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.914 1.721 . . . . 0.0 115.316 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.85 -138.74 42.31 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.721 1.26 . . . . 0.0 113.749 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.42 156.16 6.58 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.627 1.108 . . . . 0.0 114.084 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -95.8 -28.44 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.39 2.94 51.74 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.971 1.272 . . . . 0.0 116.11 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 171.64 34.91 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-N 118.552 1.176 . . . . 0.0 114.366 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.69 -2.54 89.87 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 125.059 1.314 . . . . 0.0 115.609 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -81.26 175.57 10.49 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.725 1.21 . . . . 0.0 112.61 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.34 107.42 0.77 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.021 0.915 . . . . 0.0 110.544 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -130.54 153.31 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.318 1.847 . . . . 0.0 110.616 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.88 55.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.126 0.97 . . . . 0.0 113.422 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.5 -51.13 70.69 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.199 0.909 . . . . 0.0 111.997 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.27 -40.04 81.99 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.97 -0.456 . . . . 0.0 111.37 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.0 mt -60.51 -48.43 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.325 1.05 . . . . 0.0 110.882 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.55 -37.9 88.05 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.619 -0.676 . . . . 0.0 112.139 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.3 m -62.8 -43.21 99.39 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.125 0.875 . . . . 0.0 110.986 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -66.2 -41.09 90.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.177 0.991 . . . . 0.0 112.257 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.77 -37.73 73.39 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -73.35 -33.84 65.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.709 0.686 . . . . 0.0 112.336 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -73.05 -12.36 60.89 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.48 1.112 . . . . 0.0 113.258 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.32 9.9 83.04 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.6 1.095 . . . . 0.0 114.867 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.47 -6.12 88.0 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.291 1.424 . . . . 0.0 114.245 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 tp -131.95 145.07 51.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.35 1.86 . . . . 0.0 110.573 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.34 156.8 20.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.148 0.979 . . . . 0.0 111.732 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -66.23 -35.43 80.4 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.251 -0.906 . . . . 0.0 112.705 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.81 95.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 112.39 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.83 -37.78 73.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.581 0.752 . . . . 0.0 111.791 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.06 91.93 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.509 -0.744 . . . . 0.0 111.721 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.86 -44.98 93.84 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.141 -0.974 . . . . 0.0 111.553 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.33 48.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.687 0.795 . . . . 0.0 111.7 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.32 -35.53 77.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.64 1.176 . . . . 0.0 112.239 -175.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.93 -33.66 72.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.298 0.954 . . . . 0.0 112.749 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.02 7.56 7.1 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.615 1.166 . . . . 0.0 114.103 170.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.22 23.03 74.79 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.824 1.202 . . . . 0.0 115.235 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -124.35 157.88 33.97 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.764 2.026 . . . . 0.0 111.19 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.5 p -82.58 145.05 50.2 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 123.697 0.799 . . . . 0.0 112.453 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -63.11 167.11 13.02 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.666 2.911 . . . . 0.0 113.356 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.31 7.08 6.97 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.32 162.95 0.06 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.919 2.888 . . . . 0.0 116.358 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.04 86.85 6.92 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.894 1.677 . . . . 0.0 109.855 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -74.39 6.62 3.02 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.394 2.73 . . . . 0.0 116.76 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -151.28 157.88 34.8 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 126.863 2.065 . . . . 0.0 112.368 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--O 1.253 1.267 0 C-N-CA 123.47 2.78 . . . . 0.0 112.415 168.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 118.714 -1.048 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.15 -26.5 9.42 Favored 'Cis proline' 0 CA--C 1.542 0.916 0 CA-C-N 119.306 1.553 . . . . 0.0 113.282 -1.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.12 164.35 51.3 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.797 1.189 . . . . 0.0 113.264 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.7 p -78.98 -14.87 58.95 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.784 1.234 . . . . 0.0 114.251 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -138.81 140.19 38.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.806 1.642 . . . . 0.0 111.307 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 p -134.69 10.49 3.68 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.132 1.373 . . . . 0.0 113.522 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.94 11.06 84.94 Favored Glycine 0 CA--C 1.537 1.434 0 O-C-N 121.212 -0.93 . . . . 0.0 113.956 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.45 11.6 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.525 1.93 . . . . 0.0 112.419 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.08 178.01 44.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.174 1.369 . . . . 0.0 114.38 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -139.27 152.44 69.47 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 125.716 1.606 . . . . 0.0 112.616 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.65 149.82 74.04 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.486 2.791 . . . . 0.0 112.347 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -73.1 145.28 46.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.553 0.741 . . . . 0.0 112.185 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -57.28 -27.14 61.86 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.374 0.67 . . . . 0.0 112.59 169.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -32.45 62.73 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -75.41 -37.29 60.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.895 0.878 . . . . 0.0 111.873 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.18 -49.21 65.47 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.269 1.028 . . . . 0.0 111.499 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.91 -37.42 79.4 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.77 0.828 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.13 94.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.611 0.765 . . . . 0.0 112.371 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.91 -50.09 45.67 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.327 1.051 . . . . 0.0 110.991 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.661 1.184 . . . . 0.0 111.797 -173.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -60.36 -29.14 68.72 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.475 -0.766 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.08 44.26 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.45 -35.47 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 120.827 -1.171 . . . . 0.0 111.686 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.81 -31.4 72.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.33 1.052 . . . . 0.0 112.946 171.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -86.58 6.15 32.2 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.546 1.538 . . . . 0.0 113.548 174.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.38 37.97 29.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.918 1.687 . . . . 0.0 113.302 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -102.95 -17.05 15.65 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.12 1.768 . . . . 0.0 113.302 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.1 141.11 51.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.947 1.699 . . . . 0.0 109.404 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -90.25 159.19 16.82 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.637 1.175 . . . . 0.0 113.755 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.4 mm -55.83 -53.33 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.131 1.373 . . . . 0.0 110.858 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.86 -30.81 67.3 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.516 -0.74 . . . . 0.0 112.144 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.03 -46.37 81.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.2 1.0 . . . . 0.0 111.103 171.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.45 -30.72 71.55 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.705 -1.247 . . . . 0.0 112.618 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.4 t -73.63 -42.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 t -71.33 -27.75 63.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.234 0.924 . . . . 0.0 113.405 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -82.2 -23.69 35.31 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.417 1.087 . . . . 0.0 113.372 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.45 -54.59 8.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.43 1.092 . . . . 0.0 112.089 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -76.21 123.91 88.09 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 123.184 0.594 . . . . 0.0 112.01 -165.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.15 151.17 66.72 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.011 2.474 . . . . 0.0 111.757 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -85.38 149.5 25.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.819 0.848 . . . . 0.0 112.119 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 59.43 162.35 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 127.391 2.276 . . . . 0.0 114.416 -165.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.62 -178.18 36.04 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.761 1.172 . . . . 0.0 114.148 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 171.48 169.01 33.88 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.214 0.912 . . . . 0.0 114.266 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.87 169.74 33.46 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.771 1.177 . . . . 0.0 112.964 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.8 p -80.43 152.14 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 0.0 112.828 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.42 167.23 53.02 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.332 0.968 . . . . 0.0 114.177 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.92 -7.37 75.62 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.491 1.044 . . . . 0.0 114.939 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.66 -172.45 42.17 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.553 2.025 . . . . 0.0 112.568 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.7 m -79.58 62.58 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.216 1.407 . . . . 0.0 112.739 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -134.6 131.14 37.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.306 1.443 . . . . 0.0 110.737 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -124.79 148.44 48.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.428 1.491 . . . . 0.0 111.59 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.26 69.58 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.03 -51.89 67.7 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.1 0.864 . . . . 0.0 110.964 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.44 -41.42 98.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.799 0.84 . . . . 0.0 112.048 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.46 -49.5 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.188 0.995 . . . . 0.0 110.433 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.4 -38.2 89.25 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.401 0.546 . . . . 0.0 111.79 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.1 m -61.03 -47.3 87.03 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.056 0.844 . . . . 0.0 110.934 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.7 -45.36 94.32 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.501 0.591 . . . . 0.0 111.602 173.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -66.33 -35.26 79.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.587 0.755 . . . . 0.0 112.926 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.0 -36.31 61.97 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.692 -0.63 . . . . 0.0 112.688 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -72.97 -13.51 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.898 1.279 . . . . 0.0 113.636 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.48 8.55 77.25 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.537 1.065 . . . . 0.0 114.719 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.63 3.91 80.87 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.136 1.827 . . . . 0.0 114.863 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 tp -143.6 153.02 42.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.375 1.87 . . . . 0.0 110.145 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -100.06 157.16 16.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.041 1.336 . . . . 0.0 111.795 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -66.18 -32.4 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.142 -0.974 . . . . 0.0 113.243 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.31 98.35 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.847 0.859 . . . . 0.0 112.425 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.71 70.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.132 0.573 . . . . 0.0 111.363 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.39 89.74 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.834 0.743 . . . . 0.0 111.339 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -59.82 -45.9 90.94 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.465 -0.772 . . . . 0.0 112.639 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.59 69.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.819 0.847 . . . . 0.0 112.387 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.85 -37.08 78.89 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.811 1.244 . . . . 0.0 111.927 -175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.35 -32.79 68.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.11 -0.84 17.86 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.2 19.39 62.73 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.893 1.235 . . . . 0.0 115.362 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -126.52 -177.87 4.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.545 1.538 . . . . 0.0 112.526 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.0 p -113.94 148.83 40.8 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 125.171 1.389 . . . . 0.0 112.004 172.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -73.86 165.75 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.331 2.688 . . . . 0.0 111.944 172.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.39 12.26 14.68 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.858 1.263 . . . . 0.0 114.095 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 163.04 26.64 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.363 1.465 . . . . 0.0 113.318 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 45.67 65.77 6.16 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 127.011 2.124 . . . . 0.0 115.102 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.04 67.98 6.66 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 124.461 3.44 . . . . 0.0 112.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 47.58 57.02 17.9 Favored Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 127.03 2.132 . . . . 0.0 114.213 -175.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--O 1.252 1.191 0 C-N-CA 123.842 3.028 . . . . 0.0 113.364 178.518 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.12 158.69 33.45 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.411 3.407 . . . . 0.0 114.033 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.88 172.93 44.97 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.4 1.476 . . . . 0.0 113.458 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.2 t -150.89 149.47 29.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.868 1.267 . . . . 0.0 112.397 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.1 t80 51.21 -145.99 0.48 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.743 2.017 . . . . 0.0 113.405 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -79.71 -3.22 46.46 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 -134.73 23.03 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.358 0.98 . . . . 0.0 113.606 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.92 35.09 25.88 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.977 1.711 . . . . 0.0 114.82 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.58 -12.13 82.6 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.152 1.358 . . . . 0.0 115.58 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -138.45 152.45 71.21 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.007 1.723 . . . . 0.0 111.266 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.17 153.71 76.58 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.316 2.677 . . . . 0.0 112.036 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 m -71.97 129.42 38.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.554 0.742 . . . . 0.0 111.432 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -59.86 -30.03 68.7 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -30.23 52.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.593 1.157 . . . . 0.0 113.232 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.78 -35.47 64.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.801 0.84 . . . . 0.0 111.615 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.17 -52.43 62.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.973 0.909 . . . . 0.0 110.532 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.51 -39.12 72.79 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.484 -0.76 . . . . 0.0 112.824 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.53 77.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.636 0.774 . . . . 0.0 112.477 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.09 -48.1 72.07 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.172 0.989 . . . . 0.0 111.079 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.06 -36.72 84.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.992 0.917 . . . . 0.0 111.864 -173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -59.52 -33.73 71.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.83 58.93 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.498 0.59 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.9 -33.1 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.251 -0.905 . . . . 0.0 111.726 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -63.96 -26.59 68.65 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.244 1.018 . . . . 0.0 112.627 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.49 14.01 31.35 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.277 1.831 . . . . 0.0 112.249 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 61.78 18.89 10.11 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.379 1.872 . . . . 0.0 115.251 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -99.16 -10.79 22.04 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.134 1.374 . . . . 0.0 114.327 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.73 135.66 48.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.894 1.678 . . . . 0.0 108.776 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 m -84.49 160.38 20.55 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mm -55.83 -52.7 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.294 1.038 . . . . 0.0 110.891 175.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.51 -32.71 72.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -66.73 -45.46 78.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.061 0.944 . . . . 0.0 110.525 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.63 -27.54 68.46 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 112.901 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.1 t -75.43 -40.12 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 118.773 0.715 . . . . 0.0 110.768 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -30.59 62.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.454 1.025 . . . . 0.0 113.31 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.37 -18.97 47.45 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.28 -36.85 77.49 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.712 1.205 . . . . 0.0 113.463 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.1 m 56.26 80.83 0.27 Allowed Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.934 1.294 . . . . 0.0 110.612 -156.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -64.78 163.52 27.6 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.152 3.235 . . . . 0.0 115.112 -168.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.4 mtm105 -59.51 142.73 51.91 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.478 1.111 . . . . 0.0 110.868 166.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -123.22 132.67 54.13 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.391 1.476 . . . . 0.0 111.893 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.41 -42.89 2.1 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.071 1.32 . . . . 0.0 113.287 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.63 -144.51 9.0 Favored Glycine 0 N--CA 1.474 1.2 0 CA-C-N 117.859 0.829 . . . . 0.0 113.68 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.98 -18.68 62.57 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.525 1.06 . . . . 0.0 115.192 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -86.58 4.25 40.94 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.07 1.348 . . . . 0.0 113.659 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.64 -135.23 12.75 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.723 1.154 . . . . 0.0 112.715 -175.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.05 164.67 51.72 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.476 1.036 . . . . 0.0 114.779 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.15 -154.98 10.18 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.641 1.115 . . . . 0.0 113.181 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.6 m -60.54 148.0 39.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.096 0.958 . . . . 0.0 112.264 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.9 mtt 48.33 75.81 0.13 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.173 1.789 . . . . 0.0 111.715 -172.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.4 149.58 45.84 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.091 -1.005 . . . . 0.0 111.46 177.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.05 61.77 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.868 0.867 . . . . 0.0 113.0 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -56.54 -48.48 77.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.086 1.354 . . . . 0.0 112.471 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.46 -40.96 73.37 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.279 0.631 . . . . 0.0 111.377 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.77 -47.31 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.005 0.922 . . . . 0.0 111.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.58 -38.62 91.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.351 0.523 . . . . 0.0 112.187 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -61.97 -46.2 90.31 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.55 0.614 . . . . 0.0 111.136 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -65.21 -42.41 93.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.138 0.975 . . . . 0.0 112.428 176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -63.78 -43.37 96.57 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -72.14 -37.29 69.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.404 0.547 . . . . 0.0 112.386 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.19 -15.94 63.51 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.426 1.09 . . . . 0.0 113.386 173.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.19 73.55 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.047 1.308 . . . . 0.0 114.337 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.23 -7.04 88.91 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.925 1.25 . . . . 0.0 114.652 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.84 141.7 46.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.769 2.028 . . . . 0.0 110.757 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.45 159.64 17.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.176 0.99 . . . . 0.0 112.427 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -56.19 -43.1 78.14 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.247 1.019 . . . . 0.0 112.921 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.83 98.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.572 0.749 . . . . 0.0 112.17 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.0 -36.77 69.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.429 0.692 . . . . 0.0 112.161 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -46.69 88.97 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.223 -0.923 . . . . 0.0 111.599 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -61.16 -44.77 96.79 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.722 0.692 . . . . 0.0 111.789 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.7 64.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.566 0.746 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.26 -35.69 73.95 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.67 1.188 . . . . 0.0 112.198 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.0 -35.27 80.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.07 -1.019 . . . . 0.0 112.511 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.65 -10.36 59.37 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.18 12.37 76.5 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.176 1.369 . . . . 0.0 115.339 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -85.97 171.92 11.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.929 2.092 . . . . 0.0 111.456 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 p -85.72 156.42 58.58 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 124.446 1.098 . . . . 0.0 111.757 166.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.49 145.07 70.81 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.636 2.891 . . . . 0.0 113.599 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.78 24.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.285 1.434 . . . . 0.0 112.189 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.23 152.35 47.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.851 1.66 . . . . 0.0 111.417 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.37 129.06 70.7 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.264 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.83 64.02 8.81 Favored 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 124.77 3.646 . . . . 0.0 111.258 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -68.45 149.18 98.11 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 C--O 1.254 1.308 0 C-N-CA 124.167 3.244 . . . . 0.0 112.957 177.385 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.55 147.13 96.15 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.856 3.037 . . . . 0.0 113.666 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.32 139.2 23.68 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.108 0.861 . . . . 0.0 113.523 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -155.76 154.86 32.09 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.53 1.532 . . . . 0.0 111.568 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -76.78 149.52 36.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.015 0.926 . . . . 0.0 112.782 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 t -146.92 149.99 34.32 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.164 1.385 . . . . 0.0 110.862 168.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.35 154.86 52.07 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.151 0.881 . . . . 0.0 114.423 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.68 3.0 11.72 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.817 1.647 . . . . 0.0 114.475 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.53 -149.81 44.11 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.719 1.152 . . . . 0.0 114.285 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -135.38 158.42 74.55 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.242 1.817 . . . . 0.0 111.807 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.36 81.05 1.82 Allowed 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.92 3.08 . . . . 0.0 111.655 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 t -63.99 142.2 58.49 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.758 1.223 . . . . 0.0 112.343 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -58.71 -25.78 63.24 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 172.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 -35.33 58.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.41 0.684 . . . . 0.0 112.29 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.94 -35.18 64.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.13 0.972 . . . . 0.0 111.896 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 mt -69.04 -43.0 75.57 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.556 1.142 . . . . 0.0 111.553 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.25 -40.56 86.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.528 1.058 . . . . 0.0 112.322 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.13 92.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.305 0.642 . . . . 0.0 112.363 177.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.8 tp -70.14 -49.8 47.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.932 0.893 . . . . 0.0 111.327 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.6 -42.79 86.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.403 1.481 . . . . 0.0 112.217 -173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -32.54 72.82 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.064 -1.023 . . . . 0.0 112.31 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.39 70.09 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.54 -0.725 . . . . 0.0 111.975 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 p -79.0 -32.12 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.927 -1.108 . . . . 0.0 112.508 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -69.72 -25.91 64.08 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.82 8.12 38.71 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.552 1.541 . . . . 0.0 114.027 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.9 t30 58.8 27.04 15.51 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.587 1.955 . . . . 0.0 114.603 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -83.63 -23.54 31.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.591 1.156 . . . . 0.0 112.358 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.87 143.01 51.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.857 2.063 . . . . 0.0 108.572 -175.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -91.26 159.34 16.09 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.859 -1.15 . . . . 0.0 113.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.3 mm -55.24 -53.12 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.303 1.441 . . . . 0.0 110.429 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -66.62 -32.41 73.71 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.638 -0.664 . . . . 0.0 111.804 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.69 -46.02 70.12 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.348 1.059 . . . . 0.0 111.213 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.78 68.04 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.187 -0.946 . . . . 0.0 113.068 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -76.49 -41.82 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.427 1.091 . . . . 0.0 111.216 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -30.37 62.24 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.409 1.004 . . . . 0.0 113.087 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.55 -19.4 57.95 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.644 0.777 . . . . 0.0 112.831 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tp -78.56 -42.41 29.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.144 0.977 . . . . 0.0 111.677 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.7 m -89.15 114.98 62.42 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 124.34 1.056 . . . . 0.0 113.034 -165.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.15 149.92 52.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.109 2.54 . . . . 0.0 112.344 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -86.6 -28.12 23.46 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.205 1.002 . . . . 0.0 113.031 -175.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -93.01 141.18 28.69 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.813 1.645 . . . . 0.0 111.994 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.92 7.22 75.28 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.19 86.45 0.25 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.9 1.238 . . . . 0.0 113.044 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -11.67 83.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -74.17 154.0 39.27 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.536 1.168 . . . . 0.0 112.597 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.27 -177.59 16.55 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 128.91 3.148 . . . . 0.0 113.082 3.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.4 -174.3 53.71 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.67 1.128 . . . . 0.0 114.619 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.57 -162.33 52.22 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.386 0.993 . . . . 0.0 113.635 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.1 m -65.79 140.5 58.42 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.945 0.898 . . . . 0.0 111.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 mpp? 52.69 54.99 9.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 112.809 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.47 153.79 40.2 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.25 -0.906 . . . . 0.0 110.963 165.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.27 -39.29 63.78 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.31 -50.15 74.15 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.014 0.825 . . . . 0.0 110.914 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.29 -41.4 98.46 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.194 0.997 . . . . 0.0 111.857 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.053 0.941 . . . . 0.0 110.955 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.8 -38.44 90.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.656 0.662 . . . . 0.0 112.105 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.0 -47.82 83.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.499 0.72 . . . . 0.0 110.882 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -68.67 -38.5 80.43 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.861 -0.524 . . . . 0.0 112.399 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.12 -46.23 88.28 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.864 0.866 . . . . 0.0 112.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -70.37 -33.26 71.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.083 0.553 . . . . 0.0 112.476 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.68 -12.27 60.16 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.373 1.069 . . . . 0.0 113.541 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.63 10.23 84.6 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.817 1.199 . . . . 0.0 115.295 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.33 86.99 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.979 1.276 . . . . 0.0 114.04 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 tp -136.93 141.45 42.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.647 1.979 . . . . 0.0 110.432 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -84.48 161.26 20.34 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.026 0.93 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -64.68 -36.95 85.94 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.022 -1.049 . . . . 0.0 111.785 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.86 65.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 113.422 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.97 -41.74 15.58 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.093 0.957 . . . . 0.0 111.446 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.8 84.02 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.468 -0.77 . . . . 0.0 111.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.01 -41.73 88.44 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.829 0.851 . . . . 0.0 112.131 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.54 71.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.335 0.654 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.83 -33.44 66.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.945 0.898 . . . . 0.0 112.402 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.08 -35.23 79.37 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.055 0.942 . . . . 0.0 112.337 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 0.32 44.13 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.43 23.1 65.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.631 1.11 . . . . 0.0 115.413 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -124.79 164.32 20.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.688 1.995 . . . . 0.0 112.29 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.9 p -72.89 148.0 89.14 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 123.371 0.669 . . . . 0.0 112.787 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -52.3 137.35 55.79 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.91 3.073 . . . . 0.0 114.701 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.56 26.23 5.5 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.026 1.731 . . . . 0.0 115.309 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -137.81 163.12 32.18 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.958 1.703 . . . . 0.0 112.319 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.55 143.04 28.12 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.867 1.267 . . . . 0.0 112.344 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -86.76 14.21 2.5 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.015 3.144 . . . . 0.0 115.32 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -129.48 148.74 70.52 Favored Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 126.505 1.922 . . . . 0.0 112.101 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.254 1.324 0 C-N-CA 123.914 3.076 . . . . 0.0 113.222 178.159 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 CA-C-O 119.198 -0.779 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.62 157.7 35.89 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.18 3.253 . . . . 0.0 114.649 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.62 175.63 43.87 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.787 1.185 . . . . 0.0 114.832 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 m 55.39 29.27 12.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.785 1.634 . . . . 0.0 115.372 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -139.89 165.43 27.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.798 1.639 . . . . 0.0 113.338 -171.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p 57.48 11.66 1.27 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 128.68 2.792 . . . . 0.0 116.798 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.66 12.92 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.888 1.233 . . . . 0.0 114.153 -172.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.908 1.354 . . . . 0.0 110.836 168.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.15 168.09 21.93 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.893 1.235 . . . . 0.0 113.352 167.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -145.06 156.37 54.87 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 111.686 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.56 158.32 57.62 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.506 2.804 . . . . 0.0 113.188 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -68.16 128.67 37.38 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.556 1.143 . . . . 0.0 113.212 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -65.67 -27.38 68.32 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.49 -33.26 66.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.752 0.821 . . . . 0.0 112.769 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.2 -36.91 74.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.021 0.928 . . . . 0.0 111.765 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.25 -49.08 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.383 1.073 . . . . 0.0 111.387 171.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.05 -37.99 78.32 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.413 -0.804 . . . . 0.0 112.716 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.12 78.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.773 0.829 . . . . 0.0 112.38 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.22 -45.62 83.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.656 1.183 . . . . 0.0 111.053 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.9 -44.42 85.31 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.799 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 m -60.44 -33.67 72.87 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.775 -1.203 . . . . 0.0 112.576 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.98 71.95 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.598 0.635 . . . . 0.0 112.498 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.8 -31.84 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 120.7 -1.25 . . . . 0.0 112.954 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -65.38 -30.16 70.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.469 1.108 . . . . 0.0 112.552 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -93.92 10.27 34.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.869 1.667 . . . . 0.0 113.068 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.339 0.8 OUTLIER 50.45 31.44 5.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.075 2.55 . . . . 0.0 115.546 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.88 -32.43 57.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.469 1.508 . . . . 0.0 111.9 165.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.28 140.3 49.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 108.978 -174.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.3 m -85.77 156.88 20.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.922 0.889 . . . . 0.0 113.262 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -53.99 -50.65 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.524 1.53 . . . . 0.0 111.516 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -78.06 -25.66 47.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -67.21 -43.11 82.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.267 0.627 . . . . 0.0 110.638 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.07 -30.28 71.47 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.184 -0.948 . . . . 0.0 112.519 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.48 -41.26 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.289 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -23.77 62.54 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.52 -27.81 23.77 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.817 1.247 . . . . 0.0 113.078 172.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tp -68.83 -47.27 66.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.763 0.825 . . . . 0.0 110.808 170.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -68.82 140.74 91.79 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.194 1.398 . . . . 0.0 110.561 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.56 151.11 77.88 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.521 2.148 . . . . 0.0 111.536 171.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.85 -9.78 53.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -168.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -98.79 -5.36 31.35 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.431 1.892 . . . . 0.0 113.931 172.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.4 169.28 54.32 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.31 1.433 . . . . 0.0 115.225 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.46 -1.84 85.52 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.329 1.442 . . . . 0.0 116.246 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.31 -145.67 33.52 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 118.95 1.375 . . . . 0.0 113.26 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 m -55.19 131.23 44.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 113.664 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.87 161.28 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.274 1.416 . . . . 0.0 114.075 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.98 -8.24 84.35 Favored Glycine 0 CA--C 1.543 1.782 0 C-N-CA 124.847 1.213 . . . . 0.0 115.739 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.3 177.2 51.13 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.67 1.129 . . . . 0.0 114.812 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -70.13 151.37 45.52 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.149 0.98 . . . . 0.0 112.919 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.297 26.1 ptt? 43.58 47.66 6.3 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.121 1.768 . . . . 0.0 114.429 -174.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.78 152.33 45.73 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.517 -0.739 . . . . 0.0 111.917 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.58 -36.28 64.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.816 0.847 . . . . 0.0 113.017 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -69.06 -39.72 78.96 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.932 1.242 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.97 -41.28 95.59 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.579 0.752 . . . . 0.0 110.808 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.01 -48.24 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.294 1.038 . . . . 0.0 110.695 174.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.59 -44.93 96.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.005 0.82 . . . . 0.0 111.808 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.6 m -56.55 -48.37 77.43 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.695 0.679 . . . . 0.0 111.668 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.12 -33.78 75.14 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.97 -41.81 77.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.708 0.803 . . . . 0.0 112.307 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -71.77 -33.4 68.6 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.737 -0.602 . . . . 0.0 112.456 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.75 -14.75 61.61 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.559 1.144 . . . . 0.0 113.273 172.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.88 8.18 87.75 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.103 1.335 . . . . 0.0 114.817 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.6 -14.43 82.11 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.846 1.213 . . . . 0.0 114.416 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tt -131.91 135.96 47.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.617 1.967 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.3 158.5 19.05 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 0.0 113.212 -172.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -57.0 -40.0 75.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.991 -1.068 . . . . 0.0 112.927 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.74 92.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.382 0.673 . . . . 0.0 112.15 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.15 73.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.924 0.889 . . . . 0.0 111.518 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -49.37 77.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.004 0.82 . . . . 0.0 111.099 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.37 -38.39 86.82 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.374 -0.829 . . . . 0.0 112.558 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -59.17 5.14 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.842 0.746 . . . . 0.0 111.293 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.48 -36.73 81.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.481 1.113 . . . . 0.0 112.905 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.13 -33.27 73.19 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.755 0.822 . . . . 0.0 112.56 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.46 -2.33 45.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.78 18.73 76.77 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.331 0.967 . . . . 0.0 114.815 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -102.93 157.28 17.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.787 2.035 . . . . 0.0 112.019 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.4 p -85.12 146.77 46.08 Favored Pre-proline 0 N--CA 1.471 0.625 0 C-N-CA 124.148 0.979 . . . . 0.0 111.851 167.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -76.06 166.9 27.07 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.22 2.613 . . . . 0.0 112.105 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -136.53 159.79 40.74 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.226 1.41 . . . . 0.0 112.221 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 165.19 27.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.529 1.531 . . . . 0.0 112.137 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 47.13 62.84 11.15 Favored Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 126.08 1.752 . . . . 0.0 114.186 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.05 15.95 1.43 Allowed 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 124.25 3.3 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -145.39 152.18 49.31 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.67 1.988 . . . . 0.0 112.399 -172.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 C--O 1.253 1.264 0 C-N-CA 123.899 3.066 . . . . 0.0 112.862 177.351 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 CA-C-O 119.701 -0.5 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.94 160.38 49.56 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.809 3.006 . . . . 0.0 113.18 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.23 -74.76 0.19 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.049 1.309 . . . . 0.0 111.305 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -75.56 -18.38 59.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.209 1.004 . . . . 0.0 112.915 171.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -138.2 163.87 30.63 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.345 1.858 . . . . 0.0 110.419 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -76.91 161.9 28.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.977 1.311 . . . . 0.0 113.43 -175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.49 -172.55 42.99 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.207 1.384 . . . . 0.0 112.89 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 153.85 42.54 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.71 179.7 48.19 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.004 1.288 . . . . 0.0 113.493 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.79 149.06 73.67 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.19 162.58 41.25 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.342 2.694 . . . . 0.0 111.823 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -73.77 154.17 39.68 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.361 -0.837 . . . . 0.0 111.736 167.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.3 -26.49 52.28 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.526 -0.734 . . . . 0.0 112.453 165.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.64 63.8 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.94 0.896 . . . . 0.0 113.046 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -71.92 -39.86 69.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.613 0.765 . . . . 0.0 111.571 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -65.64 -50.7 64.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.102 0.961 . . . . 0.0 111.004 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.79 -38.5 82.08 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.913 0.779 . . . . 0.0 112.693 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.17 95.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.275 0.63 . . . . 0.0 111.952 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.94 -48.54 52.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.145 0.978 . . . . 0.0 111.529 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.44 -43.91 84.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.582 1.553 . . . . 0.0 112.087 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -63.57 -29.13 70.43 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.615 -0.678 . . . . 0.0 112.276 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -36.34 64.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.605 0.762 . . . . 0.0 112.156 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -78.29 -33.98 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.627 1.103 . . . . 0.0 112.749 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -68.78 -18.67 64.24 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -99.23 9.59 43.1 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.177 1.391 . . . . 0.0 112.74 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.05 20.71 9.86 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.193 1.797 . . . . 0.0 114.642 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -81.23 -27.27 35.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.118 0.967 . . . . 0.0 111.979 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.28 159.75 30.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.706 2.002 . . . . 0.0 109.297 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -116.84 158.29 24.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.827 1.651 . . . . 0.0 112.083 -177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -51.04 -51.86 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.311 1.444 . . . . 0.0 111.234 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.39 -30.32 61.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -75.15 -25.56 58.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.311 1.044 . . . . 0.0 112.105 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 -39.04 51.91 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.266 -0.896 . . . . 0.0 111.786 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.98 -41.4 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.953 0.901 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -67.29 -26.47 66.56 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -86.81 -32.96 20.04 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.471 1.108 . . . . 0.0 112.52 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -78.91 -34.48 44.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.426 1.091 . . . . 0.0 113.27 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.9 m -66.53 126.55 92.38 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 123.749 0.82 . . . . 0.0 111.09 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -73.29 143.18 34.84 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.252 2.635 . . . . 0.0 112.496 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.48 -19.6 35.51 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -107.7 -3.3 19.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.664 1.585 . . . . 0.0 114.026 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.65 132.78 22.72 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.864 0.745 . . . . 0.0 112.685 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.89 158.08 42.24 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.639 1.114 . . . . 0.0 113.691 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.07 114.69 3.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.05 0.834 . . . . 0.0 111.932 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -156.1 169.02 25.45 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.464 1.505 . . . . 0.0 112.937 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.78 174.7 47.02 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.522 1.534 . . . . 0.0 114.934 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.59 7.9 71.17 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.973 1.273 . . . . 0.0 115.871 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.75 -154.76 42.12 Favored Glycine 0 CA--C 1.539 1.537 0 CA-C-N 118.553 1.177 . . . . 0.0 113.722 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 t 61.11 169.85 0.1 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.251 1.82 . . . . 0.0 113.931 -166.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.8 mtt 49.65 44.99 24.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.291 1.836 . . . . 0.0 113.128 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -71.94 141.84 49.45 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.531 -0.731 . . . . 0.0 110.97 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.82 79.97 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 112.435 -173.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.029 . . . . 0.0 110.899 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.19 -40.29 95.58 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.054 0.941 . . . . 0.0 111.856 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.73 -49.4 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.83 0.852 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.02 -37.93 89.14 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.02 -0.514 . . . . 0.0 111.662 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.6 m -62.81 -45.48 92.43 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.11 0.868 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -66.78 -43.99 82.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.742 0.701 . . . . 0.0 112.27 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.41 -44.9 95.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.272 1.029 . . . . 0.0 111.826 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.0 -33.42 72.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.29 -11.19 59.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.771 1.228 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.47 10.86 83.95 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.614 1.102 . . . . 0.0 114.302 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.83 2.53 87.35 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.221 1.867 . . . . 0.0 114.704 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 tp -147.42 138.47 23.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.824 2.049 . . . . 0.0 110.057 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.97 163.06 27.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.487 -0.758 . . . . 0.0 111.515 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -62.17 -41.25 98.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.266 -0.896 . . . . 0.0 111.958 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -37.62 88.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.059 0.544 . . . . 0.0 111.88 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -40.52 63.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.312 0.645 . . . . 0.0 112.016 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.24 81.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.625 0.77 . . . . 0.0 111.481 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.02 -42.6 94.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.888 0.475 . . . . 0.0 111.572 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.99 50.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.622 0.769 . . . . 0.0 112.515 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -35.31 80.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 112.273 -177.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.4 -35.0 75.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.054 0.843 . . . . 0.0 112.574 172.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.98 -1.68 48.98 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.097 1.359 . . . . 0.0 114.222 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.09 24.74 63.3 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 124.901 1.238 . . . . 0.0 115.395 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -122.04 166.43 14.52 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.575 1.95 . . . . 0.0 111.831 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.2 p -79.42 150.82 74.19 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 124.108 0.963 . . . . 0.0 112.637 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -55.97 144.5 78.45 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.907 3.072 . . . . 0.0 115.031 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.91 164.01 19.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.984 1.314 . . . . 0.0 112.983 177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.31 157.34 44.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.648 1.579 . . . . 0.0 111.857 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.03 130.56 66.07 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 123.383 0.673 . . . . 0.0 111.085 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.23 40.33 0.93 Allowed 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 124.901 3.734 . . . . 0.0 113.332 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -75.69 162.54 71.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.77 1.628 . . . . 0.0 112.935 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--O 1.253 1.239 0 C-N-CA 123.582 2.855 . . . . 0.0 113.23 162.45 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 112.297 -0.321 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.0 148.3 85.83 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.095 3.197 . . . . 0.0 114.33 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.34 -157.74 33.39 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.343 1.449 . . . . 0.0 113.704 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.0 m -114.77 139.07 50.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 110.459 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -126.91 110.75 13.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.086 0.954 . . . . 0.0 111.295 -164.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.8 m -143.17 144.77 32.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 128.463 2.705 . . . . 0.0 110.719 0.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.66 167.51 43.52 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.854 1.216 . . . . 0.0 113.476 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.17 149.01 41.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 112.756 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.41 115.96 4.57 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.947 0.784 . . . . 0.0 112.069 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.67 143.71 33.38 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.913 1.685 . . . . 0.0 111.007 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.37 149.21 44.59 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.257 2.638 . . . . 0.0 112.718 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -72.44 153.38 41.43 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.42 0.688 . . . . 0.0 111.461 166.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -54.64 -28.45 47.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.29 0.636 . . . . 0.0 111.896 166.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 -31.46 44.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 113.243 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.83 -40.22 87.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.241 0.543 . . . . 0.0 111.461 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 mt -65.84 -48.3 72.08 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.942 0.897 . . . . 0.0 111.226 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.94 -38.71 76.46 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.106 0.866 . . . . 0.0 112.94 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.54 75.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.913 0.885 . . . . 0.0 111.874 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.16 -34.96 75.79 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.218 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.9 -41.65 70.99 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.834 1.654 . . . . 0.0 112.323 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.21 -34.28 74.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.404 1.002 . . . . 0.0 112.612 169.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.13 68.75 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.65 -0.656 . . . . 0.0 111.96 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -81.66 -32.59 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 120.849 -1.157 . . . . 0.0 112.036 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -66.65 -32.19 73.36 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 112.386 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.55 9.78 22.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.815 1.246 . . . . 0.0 113.414 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 t30 59.7 27.1 16.29 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.656 1.982 . . . . 0.0 114.926 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -87.36 -32.14 19.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.005 1.322 . . . . 0.0 112.353 172.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 138.64 47.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.408 1.483 . . . . 0.0 110.088 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -87.29 154.94 20.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.219 1.008 . . . . 0.0 112.625 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -54.89 -49.1 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.695 1.198 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.59 -26.27 57.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.284 -0.885 . . . . 0.0 113.279 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -70.8 -39.61 73.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.662 -0.648 . . . . 0.0 110.151 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.84 69.56 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.853 -1.155 . . . . 0.0 112.727 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.13 -43.61 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.449 0.7 . . . . 0.0 111.118 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 -26.94 64.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.797 1.18 . . . . 0.0 113.053 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -81.66 -24.01 36.57 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.704 1.202 . . . . 0.0 113.261 172.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -73.64 -50.17 22.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.076 0.853 . . . . 0.0 110.75 169.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 m -143.16 122.85 7.69 Favored Pre-proline 0 N--CA 1.473 0.704 0 C-N-CA 126.243 1.817 . . . . 0.0 110.682 -169.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -64.3 92.42 0.18 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.609 2.872 . . . . 0.0 112.365 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -74.15 145.07 44.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.297 1.039 . . . . 0.0 113.416 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -123.17 -4.32 8.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.473 1.909 . . . . 0.0 114.049 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.89 169.26 50.91 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.036 1.303 . . . . 0.0 114.702 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.55 165.42 36.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.063 1.316 . . . . 0.0 113.198 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -162.67 50.17 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 123.818 0.723 . . . . 0.0 113.694 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.6 m -69.34 135.58 50.57 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.339 1.055 . . . . 0.0 112.804 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.93 174.42 36.14 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.095 1.331 . . . . 0.0 113.424 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.46 178.76 40.89 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.844 1.211 . . . . 0.0 113.819 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.95 156.37 19.41 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.745 1.164 . . . . 0.0 113.399 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -70.94 137.13 48.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 111.668 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.2 mtt 48.78 43.03 20.85 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.567 1.547 . . . . 0.0 114.025 -175.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.67 155.88 38.19 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.358 -0.838 . . . . 0.0 109.991 153.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.43 -34.23 61.02 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.007 -1.058 . . . . 0.0 113.013 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.54 -51.57 68.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.962 0.905 . . . . 0.0 110.78 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.15 -39.85 94.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.766 0.826 . . . . 0.0 111.613 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.7 -43.69 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.016 0.926 . . . . 0.0 111.275 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.43 -42.39 98.67 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.683 0.793 . . . . 0.0 112.199 171.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.4 m -64.76 -44.55 89.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.615 0.766 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.987 1.315 . . . . 0.0 111.885 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.73 -44.49 85.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.659 0.784 . . . . 0.0 112.526 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.98 -32.96 71.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.805 0.73 . . . . 0.0 112.586 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.34 -14.38 61.28 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.89 1.276 . . . . 0.0 113.486 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.26 12.69 81.89 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.017 1.294 . . . . 0.0 114.451 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.8 89.09 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 124.707 1.146 . . . . 0.0 114.557 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.27 136.41 39.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.887 1.675 . . . . 0.0 110.687 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.71 155.72 33.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.579 0.752 . . . . 0.0 111.897 172.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -60.62 -40.05 90.44 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.299 -0.876 . . . . 0.0 112.598 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.3 88.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.599 0.76 . . . . 0.0 112.414 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.85 -38.85 66.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 111.982 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.56 84.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.8 -43.74 94.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.555 0.742 . . . . 0.0 112.279 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -52.09 66.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.91 0.884 . . . . 0.0 112.29 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mp -70.93 -35.58 72.3 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.97 1.308 . . . . 0.0 112.396 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.58 -34.5 77.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.245 0.93 . . . . 0.0 112.563 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.44 -0.3 25.43 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 170.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.25 5.27 81.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.419 1.485 . . . . 0.0 115.561 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -88.73 154.27 20.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.933 1.693 . . . . 0.0 112.024 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.3 p -77.51 144.64 70.3 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 123.284 0.634 . . . . 0.0 110.933 159.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.74 162.28 22.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.384 2.723 . . . . 0.0 113.534 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.09 158.15 44.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.067 1.347 . . . . 0.0 112.67 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.49 163.61 27.39 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.711 1.205 . . . . 0.0 112.843 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 142.22 32.72 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 125.265 1.426 . . . . 0.0 111.45 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.13 68.01 8.41 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.551 3.5 . . . . 0.0 111.803 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -136.13 135.01 20.58 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 126.008 1.723 . . . . 0.0 110.193 -175.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.254 1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 112.991 173.583 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 CA-C-O 119.865 -0.408 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -67.04 -17.94 51.4 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 124.049 3.166 . . . . 0.0 115.975 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.75 177.8 50.26 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.775 1.179 . . . . 0.0 114.037 -175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -70.8 154.43 41.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.721 1.209 . . . . 0.0 113.836 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -138.59 140.77 39.11 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.744 1.618 . . . . 0.0 110.663 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -141.39 163.39 33.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.175 1.39 . . . . 0.0 112.607 -171.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.78 176.01 45.7 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.777 1.18 . . . . 0.0 113.271 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.6 -30.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 128.892 2.877 . . . . 0.0 118.339 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.21 -167.49 51.66 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.136 1.35 . . . . 0.0 114.507 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.5 160.71 71.99 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.616 1.166 . . . . 0.0 113.233 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.43 133.04 49.61 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.974 2.449 . . . . 0.0 113.754 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.8 p -79.48 164.66 23.76 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.023 1.329 . . . . 0.0 114.204 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.49 -24.2 54.49 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 166.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.43 30.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.913 0.885 . . . . 0.0 113.108 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.99 -35.87 81.76 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.884 0.874 . . . . 0.0 112.074 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.89 -49.8 66.75 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.431 1.092 . . . . 0.0 111.358 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.7 -37.96 74.41 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.77 87.94 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.583 0.753 . . . . 0.0 112.335 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.94 -38.23 37.7 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.586 1.154 . . . . 0.0 111.93 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.81 -36.7 84.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.635 1.174 . . . . 0.0 112.238 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -60.91 -33.71 73.56 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 112.811 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 -32.98 63.87 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.663 -0.648 . . . . 0.0 112.118 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -83.08 -31.83 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.228 -0.92 . . . . 0.0 111.818 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.26 -32.76 72.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.456 1.102 . . . . 0.0 112.482 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -97.8 15.9 22.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.542 1.537 . . . . 0.0 113.156 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 54.99 26.04 7.57 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.529 2.332 . . . . 0.0 116.195 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -83.57 -25.88 30.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.934 1.294 . . . . 0.0 112.654 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.38 135.64 54.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.948 1.699 . . . . 0.0 109.272 -175.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 m -83.91 157.15 22.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.124 0.97 . . . . 0.0 112.961 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.99 -49.43 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.24 -31.7 67.86 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.184 -0.947 . . . . 0.0 112.568 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -66.71 -44.18 82.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.037 0.935 . . . . 0.0 110.508 173.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -27.6 69.23 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.383 -0.823 . . . . 0.0 112.724 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.43 -38.72 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.96 0.904 . . . . 0.0 111.467 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -28.76 60.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.125 -0.984 . . . . 0.0 113.438 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.89 -17.77 46.07 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.639 1.176 . . . . 0.0 113.712 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.53 -41.43 60.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.535 1.534 . . . . 0.0 113.627 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m 52.64 72.57 1.14 Allowed Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 124.859 1.264 . . . . 0.0 110.81 -161.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.27 138.66 86.02 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.589 2.859 . . . . 0.0 113.584 -172.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -97.56 -12.9 22.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.633 1.173 . . . . 0.0 114.105 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 60.95 -52.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 129.737 3.215 . . . . 0.0 115.768 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.73 -133.91 49.82 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.5 2.0 . . . . 0.0 114.841 171.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.01 -136.12 46.06 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.768 0.699 . . . . 0.0 112.135 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.56 45.64 2.43 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.765 1.174 . . . . 0.0 113.439 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m 53.4 52.21 13.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.913 1.685 . . . . 0.0 112.221 -170.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.5 -172.15 19.12 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 126.521 2.01 . . . . 0.0 113.058 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.78 -171.51 53.5 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.342 0.972 . . . . 0.0 114.616 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.21 8.98 59.79 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.899 1.238 . . . . 0.0 115.988 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m 52.65 34.11 15.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 126.259 1.824 . . . . 0.0 114.783 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.2 mtm -90.53 116.79 28.7 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.221 1.408 . . . . 0.0 110.556 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -141.33 143.64 34.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.405 1.482 . . . . 0.0 110.183 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.44 -30.9 70.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 112.99 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -62.43 -52.62 62.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.197 0.908 . . . . 0.0 110.459 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.63 -41.2 97.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.471 0.709 . . . . 0.0 111.456 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.18 -47.68 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.278 1.031 . . . . 0.0 111.191 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.62 -39.36 94.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.658 0.663 . . . . 0.0 111.69 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.2 m -62.45 -45.16 94.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.307 0.643 . . . . 0.0 111.101 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.47 -41.39 84.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.703 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.51 -44.61 95.83 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.874 0.761 . . . . 0.0 111.48 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.98 -37.12 75.65 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.907 -0.495 . . . . 0.0 112.127 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.88 -17.94 62.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.62 75.38 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.859 1.218 . . . . 0.0 114.349 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.1 1.85 83.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.157 1.837 . . . . 0.0 114.892 173.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -142.96 139.58 30.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.093 1.757 . . . . 0.0 110.653 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.0 154.02 39.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.575 0.75 . . . . 0.0 112.26 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -60.09 -41.31 92.23 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 112.254 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.32 99.06 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.39 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.12 82.53 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.767 -0.583 . . . . 0.0 111.643 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.13 78.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.324 -0.86 . . . . 0.0 111.423 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.26 -39.53 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.25 -0.906 . . . . 0.0 112.579 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.26 -55.08 27.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.574 0.749 . . . . 0.0 112.315 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.9 -31.18 68.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.812 1.245 . . . . 0.0 112.883 -174.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -34.41 73.26 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.113 0.87 . . . . 0.0 112.818 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.9 59.95 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 168.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.17 17.79 70.96 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.036 1.303 . . . . 0.0 114.945 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -97.48 156.42 16.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.08 1.352 . . . . 0.0 111.241 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.9 p -76.76 146.05 75.67 Favored Pre-proline 0 N--CA 1.475 0.799 0 O-C-N 121.735 -0.603 . . . . 0.0 111.491 170.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -62.77 146.19 95.04 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.794 2.329 . . . . 0.0 113.518 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.91 155.82 38.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.76 0.824 . . . . 0.0 112.309 172.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.01 156.18 43.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.929 1.292 . . . . 0.0 112.34 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.99 148.16 28.97 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.291 1.436 . . . . 0.0 111.071 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.38 13.79 2.45 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 124.649 3.566 . . . . 0.0 114.652 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -73.12 150.0 89.78 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.023 1.729 . . . . 0.0 112.713 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--O 1.254 1.283 0 C-N-CA 123.836 3.024 . . . . 0.0 113.11 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 CA-C-O 119.838 -0.423 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -63.66 159.95 38.69 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.698 2.932 . . . . 0.0 113.398 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 128.14 42.4 Favored Glycine 0 CA--C 1.536 1.396 0 O-C-N 121.282 -0.886 . . . . 0.0 113.006 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 m 53.42 29.73 9.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.25 139.68 58.1 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.404 1.082 . . . . 0.0 113.065 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -147.05 15.1 1.17 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.783 1.233 . . . . 0.0 113.273 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.85 139.18 34.31 Favored Glycine 0 CA--C 1.538 1.479 0 O-C-N 120.945 -1.097 . . . . 0.0 113.954 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.18 162.83 39.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.585 1.554 . . . . 0.0 111.605 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.77 170.33 43.04 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.002 0.81 . . . . 0.0 113.84 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.22 160.29 49.41 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.325 1.85 . . . . 0.0 111.475 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.86 129.31 31.5 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.409 2.739 . . . . 0.0 112.216 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t -151.38 134.28 15.76 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.097 1.359 . . . . 0.0 111.103 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.63 -29.76 69.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.31 39.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.795 0.838 . . . . 0.0 112.293 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -70.26 -34.59 72.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.891 0.476 . . . . 0.0 112.106 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.88 -47.58 71.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 123.607 0.763 . . . . 0.0 111.33 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.04 -39.84 79.43 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.572 1.078 . . . . 0.0 112.664 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.03 79.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.646 0.779 . . . . 0.0 112.457 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.89 -47.67 83.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.177 1.391 . . . . 0.0 111.299 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.55 -44.18 83.09 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.816 1.646 . . . . 0.0 111.6 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -57.39 -34.87 69.32 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.127 -0.983 . . . . 0.0 112.028 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.47 -33.94 60.87 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.03 -31.34 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.959 1.254 . . . . 0.0 112.466 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -62.91 -28.84 70.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.349 1.06 . . . . 0.0 112.263 169.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -96.33 11.33 35.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.528 1.931 . . . . 0.0 113.596 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 55.16 25.75 7.56 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.959 2.504 . . . . 0.0 116.125 177.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -94.22 -14.87 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.602 1.561 . . . . 0.0 114.127 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 141.75 51.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.008 1.723 . . . . 0.0 108.719 172.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -89.94 156.38 18.48 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.73 0.812 . . . . 0.0 112.931 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.45 -52.24 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.419 1.488 . . . . 0.0 111.71 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -79.12 -21.81 46.07 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.628 -0.67 . . . . 0.0 112.415 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -72.68 -40.67 66.09 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.244 -0.91 . . . . 0.0 110.893 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.14 69.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.231 -0.918 . . . . 0.0 112.335 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.27 -45.77 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.871 170.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -27.95 68.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.224 1.374 . . . . 0.0 113.62 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.0 -14.5 59.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.479 1.112 . . . . 0.0 113.524 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -56.92 3.08 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.45 1.5 . . . . 0.0 109.846 171.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 m -138.44 115.45 9.08 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 127.14 2.176 . . . . 0.0 109.131 176.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.85 138.89 78.16 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.486 2.79 . . . . 0.0 114.856 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -107.94 164.54 12.18 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.855 1.662 . . . . 0.0 113.199 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -124.91 173.4 8.66 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.883 2.073 . . . . 0.0 111.048 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 154.03 38.84 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 124.372 0.987 . . . . 0.0 113.949 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.31 -178.53 53.61 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.579 1.085 . . . . 0.0 113.57 -169.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.93 157.62 51.53 Favored Glycine 0 CA--C 1.543 1.816 0 C-N-CA 124.131 0.872 . . . . 0.0 114.788 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.6 m -110.91 4.07 19.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.6 1.56 . . . . 0.0 114.119 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.5 -167.44 54.53 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.526 1.06 . . . . 0.0 115.219 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.97 -168.42 40.3 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 112.756 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.54 13.96 77.15 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.386 0.993 . . . . 0.0 114.429 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 t -154.11 168.79 25.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.134 2.173 . . . . 0.0 109.907 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 52.5 1.1 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.559 1.544 . . . . 0.0 113.382 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -69.42 158.57 34.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.484 1.513 . . . . 0.0 111.464 162.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.79 64.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.795 0.838 . . . . 0.0 112.642 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.77 -41.41 95.89 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.77 -35.35 67.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.747 0.703 . . . . 0.0 111.492 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.5 -45.65 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.999 0.919 . . . . 0.0 110.452 170.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -44.51 96.51 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 112.047 173.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -59.53 -47.14 86.7 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.835 0.743 . . . . 0.0 111.667 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -61.74 -36.51 81.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.816 1.246 . . . . 0.0 112.388 175.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -74.26 -40.23 62.48 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.341 1.056 . . . . 0.0 113.665 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -73.67 -32.67 64.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.403 -0.811 . . . . 0.0 112.309 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.38 -16.44 64.24 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.472 1.109 . . . . 0.0 113.072 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.52 5.88 88.03 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.596 1.094 . . . . 0.0 114.788 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.7 74.63 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 118.594 1.197 . . . . 0.0 113.721 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 tp -105.34 142.38 35.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.97 1.708 . . . . 0.0 110.99 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -85.56 158.76 20.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.05 0.94 . . . . 0.0 111.1 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttp-105 -66.46 -32.01 73.1 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.187 -0.945 . . . . 0.0 112.64 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.66 90.45 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.559 0.744 . . . . 0.0 112.108 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.45 86.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.872 0.869 . . . . 0.0 111.9 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.0 93.82 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.938 0.79 . . . . 0.0 111.869 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -61.89 -41.42 97.86 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.566 -0.709 . . . . 0.0 112.352 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.25 77.11 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.633 0.651 . . . . 0.0 111.021 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.08 -37.56 66.73 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.312 1.445 . . . . 0.0 112.671 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.13 -33.51 74.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.71 -2.62 33.85 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.12 7.57 87.63 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.212 1.386 . . . . 0.0 115.778 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.7 169.5 13.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.786 1.634 . . . . 0.0 112.452 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.8 p -73.99 154.97 88.76 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.981 0.912 . . . . 0.0 111.488 165.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.18 -172.93 0.1 OUTLIER 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.345 3.364 . . . . 0.0 114.986 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.88 17.61 10.11 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.515 1.926 . . . . 0.0 115.537 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.06 158.86 35.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.558 0.743 . . . . 0.0 110.951 158.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.66 136.21 15.27 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 124.116 0.967 . . . . 0.0 112.129 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.42 96.15 1.09 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.57 2.847 . . . . 0.0 110.383 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? 49.7 71.18 1.66 Allowed Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 126.638 1.975 . . . . 0.0 113.501 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.547 1.148 0 C-N-CA 123.797 2.998 . . . . 0.0 112.79 176.313 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 -23.66 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.598 2.865 . . . . 0.0 114.386 -175.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.14 -149.59 51.24 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.541 1.067 . . . . 0.0 113.88 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -142.24 148.25 37.81 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.594 1.557 . . . . 0.0 111.22 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -73.59 161.08 30.72 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.759 0.824 . . . . 0.0 112.797 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.8 t -75.33 165.34 25.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.041 1.337 . . . . 0.0 113.165 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.37 -175.74 42.67 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.005 1.288 . . . . 0.0 114.511 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.58 57.56 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 119.076 -2.426 . . . . 0.0 114.293 -0.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.16 -166.8 54.88 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.347 0.975 . . . . 0.0 113.401 -173.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 156.99 84.36 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 123.706 0.802 . . . . 0.0 113.129 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -62.09 115.81 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.008 2.472 . . . . 0.0 112.503 171.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -74.95 142.24 43.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.271 1.028 . . . . 0.0 111.228 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.46 -27.56 48.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.684 0.794 . . . . 0.0 113.139 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.98 51.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.182 0.993 . . . . 0.0 113.21 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -76.53 -31.43 57.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.83 -48.71 75.72 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.28 0.632 . . . . 0.0 111.044 170.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.95 -38.62 76.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.244 0.929 . . . . 0.0 112.364 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.43 70.0 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.634 0.774 . . . . 0.0 112.165 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.14 -41.69 98.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.419 1.487 . . . . 0.0 112.14 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.68 -44.17 71.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.385 1.874 . . . . 0.0 111.819 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -59.55 -34.99 73.36 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.163 -0.96 . . . . 0.0 112.201 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.47 -33.8 65.03 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.573 -0.705 . . . . 0.0 112.759 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.31 -31.6 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.759 -1.213 . . . . 0.0 112.519 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -65.71 -27.32 68.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.933 0.893 . . . . 0.0 113.119 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -96.85 11.96 33.89 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.959 1.304 . . . . 0.0 113.239 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 t30 59.47 27.11 16.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.728 2.011 . . . . 0.0 115.424 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -90.73 -22.51 21.05 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.261 1.425 . . . . 0.0 113.273 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.32 139.93 53.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.604 1.962 . . . . 0.0 109.277 -178.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.3 m -89.28 158.48 17.82 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.193 0.997 . . . . 0.0 113.448 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.6 mm -56.99 -50.04 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.223 -0.923 . . . . 0.0 111.08 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.91 -35.72 82.07 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.419 -0.801 . . . . 0.0 112.446 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -67.6 -44.95 76.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.846 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.68 -24.89 67.97 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.144 -0.972 . . . . 0.0 112.806 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -78.44 -43.07 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.152 0.981 . . . . 0.0 111.487 171.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -30.02 66.28 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.954 -1.092 . . . . 0.0 112.79 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -79.04 -18.46 53.5 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.435 1.094 . . . . 0.0 113.391 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.3 tp -74.43 -37.57 63.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.944 0.898 . . . . 0.0 112.324 172.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 m -61.64 118.91 42.52 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 124.369 1.068 . . . . 0.0 112.014 -164.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -81.99 171.92 12.45 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.874 3.049 . . . . 0.0 112.685 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -70.98 -22.15 62.23 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -111.44 136.83 50.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.315 1.846 . . . . 0.0 111.423 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.93 -25.1 74.66 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -173.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.03 -155.28 49.0 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.382 0.991 . . . . 0.0 114.436 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.34 -178.92 48.1 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.619 1.104 . . . . 0.0 113.616 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.9 m 52.4 42.48 31.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.432 1.493 . . . . 0.0 114.669 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.37 164.1 37.96 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.703 1.144 . . . . 0.0 114.693 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 37.66 1.14 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.103 1.811 . . . . 0.0 116.274 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.43 -124.86 13.55 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-N 118.729 1.264 . . . . 0.0 112.829 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 m -80.77 46.98 0.92 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.521 . . . . 0.0 113.303 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.1 mtt -100.68 124.0 45.67 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.265 1.426 . . . . 0.0 109.715 170.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -138.19 132.32 31.67 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.879 1.672 . . . . 0.0 111.117 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.93 -32.95 71.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -62.73 -50.95 69.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.391 1.076 . . . . 0.0 111.04 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.08 -42.76 99.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.694 1.197 . . . . 0.0 111.459 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.26 -47.29 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.374 1.07 . . . . 0.0 110.851 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.91 -39.42 94.49 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.45 0.7 . . . . 0.0 112.132 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -63.31 -46.83 84.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.772 0.829 . . . . 0.0 110.837 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -65.59 -39.73 91.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.213 0.605 . . . . 0.0 112.143 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.09 -47.64 82.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.253 0.621 . . . . 0.0 111.813 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.29 -34.75 78.06 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -77.77 -3.05 39.38 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 9.86 86.19 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.691 1.139 . . . . 0.0 115.644 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.02 -9.36 86.76 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.185 1.374 . . . . 0.0 114.188 174.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.5 tp -131.98 138.47 48.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.308 1.843 . . . . 0.0 110.392 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.22 154.01 31.43 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 0.0 112.058 174.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -63.7 -36.02 82.46 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.223 -0.923 . . . . 0.0 112.466 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.51 97.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.115 0.966 . . . . 0.0 112.61 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.1 -38.94 72.37 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.533 0.733 . . . . 0.0 111.506 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.6 84.98 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.583 -0.698 . . . . 0.0 111.434 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.06 -43.67 91.76 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.835 0.743 . . . . 0.0 111.51 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.6 -54.36 46.29 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.465 0.706 . . . . 0.0 112.202 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -67.96 -34.54 76.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.052 1.341 . . . . 0.0 112.387 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.0 -33.79 70.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.766 0.826 . . . . 0.0 112.613 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.03 22.34 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 169.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.01 22.27 71.9 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.646 1.117 . . . . 0.0 115.215 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -126.1 159.31 33.18 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.946 1.699 . . . . 0.0 112.316 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.8 p -75.43 146.24 80.68 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 123.242 0.617 . . . . 0.0 111.86 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.73 148.08 51.95 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.078 2.518 . . . . 0.0 111.791 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.44 149.81 36.8 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.116 0.966 . . . . 0.0 113.219 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.03 157.24 25.52 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.524 1.13 . . . . 0.0 112.897 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.8 56.31 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 123.687 0.795 . . . . 0.0 111.541 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -82.35 17.55 1.57 Allowed 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 124.213 3.275 . . . . 0.0 114.252 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -137.8 142.34 36.07 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.799 2.039 . . . . 0.0 111.022 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo . . . . . 0 C--O 1.253 1.242 0 C-N-CA 123.897 3.065 . . . . 0.0 114.678 174.221 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.66 153.89 68.83 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.857 3.038 . . . . 0.0 112.512 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.88 165.52 54.69 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 123.97 0.795 . . . . 0.0 113.803 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 m 52.31 39.54 27.43 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.628 1.571 . . . . 0.0 114.453 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -65.97 146.84 54.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.918 0.887 . . . . 0.0 112.699 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 t -63.42 131.67 48.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.93 -0.88 12.02 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.162 1.363 . . . . 0.0 116.467 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.23 -15.7 1.09 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.84 156.44 53.43 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 118.99 0.814 . . . . 0.0 114.142 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.28 152.66 95.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.413 1.085 . . . . 0.0 112.224 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.74 144.62 99.58 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.054 2.503 . . . . 0.0 111.517 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -149.34 149.51 30.99 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.225 1.01 . . . . 0.0 112.577 -169.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -56.67 -27.88 59.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.08 0.952 . . . . 0.0 112.962 167.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -33.66 57.52 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.827 0.739 . . . . 0.0 112.663 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.51 -34.93 67.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.996 0.919 . . . . 0.0 112.07 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.32 -47.89 63.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.9 0.88 . . . . 0.0 111.254 170.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.72 -39.73 71.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.716 0.806 . . . . 0.0 112.387 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 -30.23 66.77 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.69 -48.52 38.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 109.919 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -67.58 -39.99 84.87 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.425 1.49 . . . . 0.0 111.727 -174.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 p -61.85 -30.59 70.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.791 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.83 55.02 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.704 0.801 . . . . 0.0 111.74 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.51 -33.16 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.175 -0.953 . . . . 0.0 112.188 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -69.67 -19.59 63.59 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -108.32 18.79 20.64 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.185 1.794 . . . . 0.0 112.858 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 60.58 21.98 11.77 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.37 1.868 . . . . 0.0 115.255 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -85.23 -25.91 27.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.482 1.113 . . . . 0.0 112.524 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.46 151.29 51.1 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.418 1.887 . . . . 0.0 108.584 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -93.52 156.9 16.48 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.608 1.163 . . . . 0.0 112.936 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.6 -53.86 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.664 1.186 . . . . 0.0 110.477 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.39 -27.88 65.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -74.45 -42.31 59.31 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.781 0.832 . . . . 0.0 111.088 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -25.87 68.1 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 120.907 -1.121 . . . . 0.0 112.031 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.67 -43.01 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.326 1.05 . . . . 0.0 111.231 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -28.9 64.35 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.327 0.967 . . . . 0.0 113.348 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.57 -21.93 47.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.108 0.963 . . . . 0.0 113.226 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tp -83.51 -49.94 8.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.322 1.449 . . . . 0.0 112.129 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 m -74.88 125.43 89.43 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 123.438 0.695 . . . . 0.0 112.391 -160.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.99 149.46 32.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.17 2.58 . . . . 0.0 111.81 176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.41 -22.94 58.91 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -94.67 -17.26 22.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.277 1.431 . . . . 0.0 114.445 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.98 -167.52 26.08 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.513 1.054 . . . . 0.0 113.665 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.46 169.13 26.49 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.256 0.932 . . . . 0.0 114.682 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.82 -148.11 45.74 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.98 1.276 . . . . 0.0 114.651 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -80.27 -1.67 41.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.087 1.355 . . . . 0.0 114.148 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.37 -4.69 54.57 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.732 1.634 . . . . 0.0 115.831 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.2 4.69 64.31 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.191 1.377 . . . . 0.0 116.51 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.08 -124.86 37.65 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.067 1.433 . . . . 0.0 112.555 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 m -89.92 10.96 21.87 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.2 ttm -86.27 58.48 5.08 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.313 1.445 . . . . 0.0 111.987 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -74.93 138.42 42.34 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.735 1.614 . . . . 0.0 113.805 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.9 72.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.923 0.889 . . . . 0.0 113.19 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -60.94 -51.82 67.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 0.0 111.2 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.68 -41.45 90.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.294 1.038 . . . . 0.0 111.734 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.0 mt -62.54 -49.75 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.374 1.07 . . . . 0.0 111.339 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.5 -38.16 90.08 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.43 -0.794 . . . . 0.0 112.262 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.8 m -62.29 -45.38 93.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.558 0.617 . . . . 0.0 111.366 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -69.18 -40.23 78.25 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.493 0.588 . . . . 0.0 112.343 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.78 -46.36 89.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.941 0.896 . . . . 0.0 111.752 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.61 -35.43 72.97 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.17 -13.34 61.52 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.444 1.098 . . . . 0.0 113.516 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.08 11.76 83.28 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.686 1.136 . . . . 0.0 114.782 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.53 -9.74 86.78 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.176 1.369 . . . . 0.0 113.674 171.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -137.67 138.12 39.09 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.544 1.938 . . . . 0.0 110.143 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.56 156.67 29.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.837 0.855 . . . . 0.0 112.138 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -63.53 -35.82 81.73 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.957 -1.09 . . . . 0.0 112.739 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.65 94.64 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.809 0.844 . . . . 0.0 112.788 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.12 71.07 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.558 -0.714 . . . . 0.0 111.514 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.09 96.17 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.652 -0.655 . . . . 0.0 111.5 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.04 -43.33 95.44 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.37 59.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.537 0.608 . . . . 0.0 111.849 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -38.11 88.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.548 1.139 . . . . 0.0 112.105 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.56 -34.48 75.9 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.202 -0.936 . . . . 0.0 112.824 174.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.64 1.82 28.33 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.52 35.64 51.24 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 120.844 -1.16 . . . . 0.0 113.892 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -132.45 -176.13 3.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.672 2.389 . . . . 0.0 110.066 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 p -131.62 149.42 73.45 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 125.249 1.42 . . . . 0.0 111.218 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.98 153.09 73.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.33 2.687 . . . . 0.0 111.648 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.86 157.84 22.75 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.166 1.386 . . . . 0.0 112.258 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.35 8.65 15.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.178 1.391 . . . . 0.0 113.96 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.99 96.4 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 124.337 1.055 . . . . 0.0 112.387 -176.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -84.47 20.1 1.27 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 124.815 3.677 . . . . 0.0 113.746 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.59 156.69 78.3 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.704 2.001 . . . . 0.0 112.044 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.252 1.186 0 C-N-CA 123.894 3.063 . . . . 0.0 114.576 175.393 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.97 -14.7 15.19 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.92 3.08 . . . . 0.0 114.368 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.42 53.13 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.635 1.112 . . . . 0.0 114.669 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.4 p -96.33 173.63 7.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.823 1.649 . . . . 0.0 112.96 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -125.21 170.7 11.0 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.751 1.62 . . . . 0.0 111.673 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -131.91 172.55 12.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.136 1.374 . . . . 0.0 112.12 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.35 16.87 67.93 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.902 1.239 . . . . 0.0 114.588 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.03 158.28 35.11 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.808 1.243 . . . . 0.0 113.495 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.96 169.59 54.79 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.827 1.203 . . . . 0.0 115.125 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -78.83 163.59 59.81 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 125.548 1.539 . . . . 0.0 113.148 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -58.62 140.89 96.68 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.64 2.893 . . . . 0.0 113.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 m -74.47 127.45 33.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.403 1.081 . . . . 0.0 112.616 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -62.63 -29.11 70.37 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.79 0.836 . . . . 0.0 113.097 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.22 56.18 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.592 0.757 . . . . 0.0 112.617 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -35.67 69.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.676 0.79 . . . . 0.0 111.529 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.64 -46.88 77.54 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.283 1.033 . . . . 0.0 111.059 169.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.61 -37.02 80.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.019 0.827 . . . . 0.0 113.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.29 87.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.55 -48.05 73.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.275 1.03 . . . . 0.0 110.958 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.9 mt -66.75 -40.03 88.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.086 1.354 . . . . 0.0 111.976 -173.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.86 -32.04 72.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.135 0.879 . . . . 0.0 113.243 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.85 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.836 0.744 . . . . 0.0 111.955 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.16 -34.22 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 121.091 -1.005 . . . . 0.0 112.143 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 tpt85 -69.96 -27.61 64.87 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.19 12.5 22.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.273 1.429 . . . . 0.0 113.208 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.24 25.22 14.62 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.919 2.087 . . . . 0.0 115.101 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -83.18 -26.34 30.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.822 1.249 . . . . 0.0 112.419 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.15 148.0 49.5 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.694 1.998 . . . . 0.0 108.497 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -91.46 165.16 13.53 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.282 -1.511 . . . . 0.0 113.452 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.87 -47.03 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.024 0.93 . . . . 0.0 110.093 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.07 -33.06 61.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.515 -0.74 . . . . 0.0 111.795 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.65 -40.22 66.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.538 0.735 . . . . 0.0 111.722 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.5 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.211 -1.556 . . . . 0.0 112.26 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.96 -44.96 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.385 1.074 . . . . 0.0 110.688 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -70.46 -28.78 65.28 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.484 1.038 . . . . 0.0 113.738 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.75 -8.67 59.39 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.481 1.112 . . . . 0.0 113.31 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tt -113.95 -36.46 4.78 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.691 1.596 . . . . 0.0 112.81 -173.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.1 m -77.41 129.61 76.95 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.204 1.002 . . . . 0.0 111.657 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -70.54 151.03 64.37 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.266 2.644 . . . . 0.0 112.378 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -91.24 -5.56 54.63 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -123.3 149.79 44.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.786 2.034 . . . . 0.0 110.696 172.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.61 -173.93 32.84 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.288 0.947 . . . . 0.0 114.319 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.06 94.16 1.22 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.265 0.936 . . . . 0.0 112.475 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.15 -19.08 79.97 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.267 0.937 . . . . 0.0 115.026 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.2 p -152.36 158.52 42.82 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.772 1.629 . . . . 0.0 112.658 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.19 -134.29 8.45 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 126.198 1.856 . . . . 0.0 111.442 171.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 153.31 23.47 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.444 1.021 . . . . 0.0 112.761 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.48 21.48 70.64 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 124.196 0.903 . . . . 0.0 114.974 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -146.81 -173.93 4.35 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.993 1.717 . . . . 0.0 111.812 -172.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -76.17 70.98 2.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.617 1.567 . . . . 0.0 111.169 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.58 166.12 24.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.18 1.392 . . . . 0.0 111.724 160.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.19 64.43 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -59.6 -52.86 63.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.127 0.971 . . . . 0.0 111.213 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -58.65 -41.82 86.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.54 1.136 . . . . 0.0 111.715 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.94 -51.52 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.394 1.078 . . . . 0.0 111.163 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.36 -37.16 86.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.552 -0.718 . . . . 0.0 112.357 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.4 m -61.83 -47.54 84.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.616 0.767 . . . . 0.0 111.028 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -67.55 -40.32 84.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -62.89 -46.59 87.09 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.663 0.785 . . . . 0.0 112.589 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.38 -33.82 73.62 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.12 -11.95 60.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.454 1.101 . . . . 0.0 113.64 173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.73 9.14 85.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.056 1.313 . . . . 0.0 115.116 -177.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.48 -8.28 87.66 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.337 1.446 . . . . 0.0 114.209 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 tp -135.21 140.78 45.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.357 1.863 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.04 162.57 16.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -54.16 -47.42 71.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.811 1.244 . . . . 0.0 112.775 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.99 93.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.888 0.875 . . . . 0.0 112.248 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.29 65.86 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 0.0 111.512 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.28 82.07 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.974 -1.079 . . . . 0.0 112.119 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.77 -41.93 95.5 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.776 -0.578 . . . . 0.0 112.171 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.13 -50.01 62.83 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.711 0.687 . . . . 0.0 111.559 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.13 -38.02 87.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.825 0.85 . . . . 0.0 112.635 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.71 -33.2 72.17 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -2.21 39.1 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.83 76.75 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.867 1.222 . . . . 0.0 115.363 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -102.31 158.42 16.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.742 2.017 . . . . 0.0 111.942 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.0 p -72.38 148.59 90.91 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.436 0.694 . . . . 0.0 111.338 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.58 146.93 69.17 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.167 2.578 . . . . 0.0 112.249 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.84 147.38 35.2 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.122 0.969 . . . . 0.0 112.907 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.6 27.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.221 1.408 . . . . 0.0 110.785 171.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.32 56.71 8.93 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 126.086 1.755 . . . . 0.0 114.974 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.49 7.34 4.55 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 123.933 3.088 . . . . 0.0 115.456 -168.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -149.95 156.98 38.2 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 127.257 2.223 . . . . 0.0 112.601 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.251 1.169 0 C-N-CA 123.831 3.021 . . . . 0.0 112.352 168.856 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.31 145.19 92.75 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 113.988 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.52 -16.44 77.56 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 123.547 0.594 . . . . 0.0 114.19 173.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 p -69.61 155.59 40.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.172 1.789 . . . . 0.0 112.895 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -72.63 155.69 39.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 113.648 -170.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -73.04 120.03 18.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.554 -1.341 . . . . 0.0 111.559 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.92 -2.46 61.62 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.257 1.263 . . . . 0.0 116.257 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -8.37 56.47 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.068 1.347 . . . . 0.0 114.445 -175.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.0 -178.93 41.87 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 124.452 1.025 . . . . 0.0 114.064 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.86 148.14 44.97 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.411 1.085 . . . . 0.0 112.112 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -68.3 147.57 72.33 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.744 2.296 . . . . 0.0 111.618 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.0 p -72.9 158.3 35.77 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.296 0.57 . . . . 0.0 112.3 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -56.81 -24.9 54.13 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.705 -0.622 . . . . 0.0 112.362 168.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.95 -40.8 30.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.607 0.763 . . . . 0.0 112.034 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -69.09 -31.66 70.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.647 0.779 . . . . 0.0 112.91 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -70.5 -48.48 55.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 110.822 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.73 -38.49 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.507 1.048 . . . . 0.0 112.501 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.87 97.22 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.277 1.031 . . . . 0.0 112.375 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.13 -50.59 53.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 111.08 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.0 mt -65.36 -36.34 83.69 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 111.58 -172.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -61.92 -32.31 72.7 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.772 0.714 . . . . 0.0 112.92 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.65 62.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.437 -0.789 . . . . 0.0 112.507 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -81.59 -32.95 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.252 -0.905 . . . . 0.0 112.002 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -63.24 -35.66 81.08 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.218 1.007 . . . . 0.0 112.863 170.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -86.09 12.85 8.71 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.573 1.149 . . . . 0.0 113.261 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.9 t30 55.96 28.81 13.22 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.138 2.175 . . . . 0.0 114.923 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -97.92 -18.17 18.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.782 1.633 . . . . 0.0 113.245 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.52 142.55 51.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 109.603 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 m -92.16 157.38 16.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.218 1.407 . . . . 0.0 112.832 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.3 mm -53.97 -53.31 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.005 1.322 . . . . 0.0 110.413 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.11 -30.88 69.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.255 0.622 . . . . 0.0 112.203 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -73.56 -35.98 65.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.247 1.019 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.46 74.11 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.842 -1.161 . . . . 0.0 111.679 173.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.12 -43.5 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.972 0.909 . . . . 0.0 110.518 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -69.71 -25.24 63.77 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.282 0.947 . . . . 0.0 113.335 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.2 mt -84.31 -29.48 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.136 0.975 . . . . 0.0 113.114 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -85.93 -35.66 20.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.914 1.286 . . . . 0.0 113.682 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 t -62.32 139.19 96.38 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 123.987 0.915 . . . . 0.0 110.795 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.2 156.61 37.76 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.506 2.138 . . . . 0.0 113.359 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 140.5 46.66 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.867 1.667 . . . . 0.0 111.39 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 58.48 15.14 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.815 2.046 . . . . 0.0 114.653 -169.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.55 166.21 23.11 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.91 1.719 . . . . 0.0 114.858 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.79 -177.67 49.54 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.327 0.965 . . . . 0.0 113.705 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.45 158.44 52.43 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.283 0.944 . . . . 0.0 113.926 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.5 p -74.95 154.9 37.92 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.378 1.071 . . . . 0.0 113.081 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.73 -166.08 39.36 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.836 1.208 . . . . 0.0 113.714 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.54 146.66 10.86 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.939 1.257 . . . . 0.0 112.42 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.79 7.08 74.23 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.364 0.983 . . . . 0.0 115.239 -175.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -71.88 160.8 31.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.64 1.576 . . . . 0.0 113.279 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.3 mtt -75.18 90.84 2.57 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.089 0.956 . . . . 0.0 109.624 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.68 148.77 36.63 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.01 0.924 . . . . 0.0 111.565 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.77 65.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.921 0.888 . . . . 0.0 112.633 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -59.63 -55.0 39.9 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.837 0.855 . . . . 0.0 110.594 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -58.19 -41.02 83.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.78 0.832 . . . . 0.0 111.997 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.6 mt -63.27 -48.32 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.501 1.12 . . . . 0.0 111.259 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.65 -39.3 93.44 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.373 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -61.34 -45.36 94.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.374 0.988 . . . . 0.0 111.412 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.83 -39.72 87.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.198 0.908 . . . . 0.0 112.245 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.74 -45.7 91.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.627 0.771 . . . . 0.0 112.259 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -71.53 -34.41 70.03 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.693 -0.629 . . . . 0.0 112.668 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.04 -15.42 63.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.264 1.026 . . . . 0.0 113.511 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.29 83.16 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.039 1.305 . . . . 0.0 114.537 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.56 -7.2 88.67 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.842 1.211 . . . . 0.0 114.415 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.73 140.33 46.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.993 2.117 . . . . 0.0 110.376 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.12 155.76 27.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.136 0.975 . . . . 0.0 112.105 175.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -64.71 -34.39 78.2 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.047 -1.033 . . . . 0.0 112.746 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.18 93.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.821 0.848 . . . . 0.0 112.576 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.62 70.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 112.065 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.41 90.44 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.615 -0.678 . . . . 0.0 111.28 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.17 -45.33 87.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.282 -0.886 . . . . 0.0 111.937 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.74 67.93 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.062 0.945 . . . . 0.0 112.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.2 -33.56 74.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.729 1.212 . . . . 0.0 112.705 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.26 -34.89 68.56 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.734 0.814 . . . . 0.0 112.461 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.36 63.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.962 0.905 . . . . 0.0 112.897 173.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.22 11.54 3.4 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.978 1.551 . . . . 0.0 116.978 163.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.85 161.17 41.82 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.132 1.966 . . . . 0.0 113.652 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.6 p -65.78 147.51 98.7 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.27 151.96 66.41 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.705 2.936 . . . . 0.0 112.744 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.36 151.36 36.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.044 1.738 . . . . 0.0 111.253 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.43 130.47 37.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.413 0.685 . . . . 0.0 112.371 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.43 68.85 11.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 125.182 1.393 . . . . 0.0 111.491 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.83 54.43 4.82 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.519 3.479 . . . . 0.0 112.53 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.73 148.74 87.7 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.599 1.56 . . . . 0.0 112.132 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo . . . . . 0 C--O 1.255 1.349 0 C-N-CA 123.851 3.034 . . . . 0.0 113.006 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -70.07 163.03 40.02 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.764 2.976 . . . . 0.0 112.684 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.13 158.67 30.71 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.602 1.096 . . . . 0.0 112.905 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.3 m -76.85 -23.15 52.69 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -152.83 152.58 31.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.324 1.45 . . . . 0.0 112.05 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.4 p -132.48 -45.47 0.9 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.986 1.314 . . . . 0.0 112.688 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 177.3 39.03 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.444 1.497 . . . . 0.0 114.854 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 158.66 29.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.709 1.204 . . . . 0.0 114.115 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.95 -160.93 35.67 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.21 1.386 . . . . 0.0 113.713 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.31 148.81 98.23 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.954 0.902 . . . . 0.0 112.519 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.54 142.28 32.59 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 111.847 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 t -77.5 151.64 34.5 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.674 0.79 . . . . 0.0 111.931 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -55.16 -27.96 49.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.299 0.64 . . . . 0.0 112.116 167.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -26.45 61.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.001 0.921 . . . . 0.0 112.929 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -83.05 -41.7 18.33 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.658 1.183 . . . . 0.0 111.769 172.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.18 -50.03 73.45 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.507 1.123 . . . . 0.0 111.316 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.91 -36.42 76.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.752 0.706 . . . . 0.0 112.827 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.34 65.43 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.911 0.884 . . . . 0.0 112.401 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.06 -40.05 90.61 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.348 1.459 . . . . 0.0 112.053 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.63 -39.67 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.924 1.69 . . . . 0.0 112.21 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.7 m -62.59 -33.16 74.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.306 0.957 . . . . 0.0 112.836 174.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.94 -33.59 72.32 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.478 0.581 . . . . 0.0 112.004 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.88 -32.16 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.159 -0.963 . . . . 0.0 112.351 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -62.52 -32.94 73.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.024 0.93 . . . . 0.0 112.678 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -90.26 10.24 25.51 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.65 1.58 . . . . 0.0 113.942 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t30 62.45 24.57 14.63 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.307 1.843 . . . . 0.0 114.692 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -95.29 -23.87 17.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.223 1.409 . . . . 0.0 113.059 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.4 137.39 54.34 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.299 1.84 . . . . 0.0 108.638 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -87.59 158.65 18.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.274 1.03 . . . . 0.0 113.493 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.38 -52.35 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.497 1.119 . . . . 0.0 110.457 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.55 -34.08 71.85 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.0 -1.063 . . . . 0.0 112.24 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.07 -28.8 67.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.542 1.137 . . . . 0.0 112.226 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.77 -44.38 33.2 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.392 -0.817 . . . . 0.0 111.334 170.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.97 -37.69 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.582 1.153 . . . . 0.0 111.269 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -66.35 -23.29 66.32 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.48 -36.25 15.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.258 1.423 . . . . 0.0 113.109 172.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.34 -30.0 61.83 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.435 1.494 . . . . 0.0 114.173 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.8 t -50.3 124.85 18.75 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -163.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.06 163.24 31.02 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.55 2.833 . . . . 0.0 113.87 -172.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -73.1 -20.25 60.98 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.795 1.238 . . . . 0.0 113.489 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.69 116.79 29.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.521 1.929 . . . . 0.0 109.692 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.98 175.33 52.33 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.336 0.97 . . . . 0.0 114.812 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -179.31 53.18 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.74 1.162 . . . . 0.0 114.979 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.57 -178.74 48.74 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.125 1.345 . . . . 0.0 112.907 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m -64.6 121.19 13.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.461 1.105 . . . . 0.0 112.459 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.2 -18.57 60.55 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.198 0.904 . . . . 0.0 115.019 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.12 -23.84 76.93 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 118.681 1.24 . . . . 0.0 114.711 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.39 8.58 5.33 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.265 1.412 . . . . 0.0 114.166 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m 53.15 92.77 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.504 1.921 . . . . 0.0 113.982 -173.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.4 mtt -109.53 117.21 33.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.38 1.072 . . . . 0.0 111.93 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.48 154.47 35.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.829 2.452 . . . . 0.0 108.042 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.08 64.57 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 118.997 0.817 . . . . 0.0 112.661 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.99 -54.57 43.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.908 0.883 . . . . 0.0 110.892 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.86 -38.65 91.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.838 0.855 . . . . 0.0 112.023 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.23 -47.23 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 110.953 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.86 -37.71 86.9 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.83 -0.544 . . . . 0.0 112.408 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.8 m -64.88 -43.86 91.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.885 0.766 . . . . 0.0 111.213 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -67.59 -41.28 84.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.254 1.022 . . . . 0.0 112.095 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.13 -44.83 95.77 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.274 1.03 . . . . 0.0 111.743 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -69.86 -35.29 74.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.394 0.678 . . . . 0.0 112.366 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.35 -14.97 62.36 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.986 1.314 . . . . 0.0 113.523 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.58 7.84 85.59 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.62 1.105 . . . . 0.0 114.526 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.48 -7.31 88.58 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.249 1.404 . . . . 0.0 114.673 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.0 tp -132.35 139.45 48.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.268 1.827 . . . . 0.0 110.562 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -79.2 159.97 27.13 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.546 0.738 . . . . 0.0 112.005 175.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.61 -39.61 91.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.314 1.045 . . . . 0.0 111.751 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.94 96.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.082 0.553 . . . . 0.0 112.111 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.91 77.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.242 0.617 . . . . 0.0 111.881 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.34 82.14 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.736 0.698 . . . . 0.0 111.42 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.651 0.781 . . . . 0.0 112.676 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.17 49.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.747 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.99 -32.75 71.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.648 1.179 . . . . 0.0 112.439 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.22 70.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.034 0.834 . . . . 0.0 112.698 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.87 -4.27 39.89 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 171.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.13 18.22 78.73 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.818 1.199 . . . . 0.0 116.057 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -131.45 143.67 50.6 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.076 1.35 . . . . 0.0 111.419 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.2 p -73.56 144.05 83.05 Favored Pre-proline 0 N--CA 1.476 0.868 0 O-C-N 121.195 -0.941 . . . . 0.0 113.208 -174.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.24 162.75 40.73 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.735 2.957 . . . . 0.0 112.214 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.9 157.79 44.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 112.381 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.38 1.82 27.41 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -138.63 73.13 41.89 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.541 1.936 . . . . 0.0 110.294 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -80.48 16.28 1.59 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 124.58 3.52 . . . . 0.0 114.864 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -136.61 114.29 10.29 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 126.449 1.899 . . . . 0.0 110.187 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--O 1.254 1.297 0 C-N-CA 123.502 2.802 . . . . 0.0 112.962 177.131 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 CA-C-O 120.096 -0.28 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 155.13 51.93 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.42 3.414 . . . . 0.0 114.227 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.15 15.95 79.82 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.294 0.949 . . . . 0.0 115.395 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.1 p -82.73 -6.06 59.2 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -173.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.98 136.23 57.73 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.17 0.988 . . . . 0.0 113.619 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -139.39 158.68 43.74 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.741 2.016 . . . . 0.0 110.454 170.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.55 134.18 2.3 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 121.501 -0.75 . . . . 0.0 112.789 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.1 38.54 17.13 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.6 1.16 . . . . 0.0 113.197 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.93 -143.06 16.26 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.683 1.611 . . . . 0.0 112.746 -167.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -135.65 157.79 75.53 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.864 1.666 . . . . 0.0 111.637 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -59.42 149.3 82.41 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.271 2.647 . . . . 0.0 112.538 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 p -128.04 150.82 49.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.775 1.23 . . . . 0.0 111.349 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -59.39 -25.79 64.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.97 -0.456 . . . . 0.0 112.211 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.69 63.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.807 0.843 . . . . 0.0 112.657 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.17 -39.16 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.118 0.967 . . . . 0.0 112.464 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.38 -49.01 68.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.446 1.098 . . . . 0.0 111.572 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.53 -37.57 81.59 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.194 -0.941 . . . . 0.0 112.764 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.48 85.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.889 0.875 . . . . 0.0 112.388 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.99 -48.8 70.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.354 1.061 . . . . 0.0 111.349 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.02 -41.62 97.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.349 1.459 . . . . 0.0 111.775 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m -60.55 -33.76 73.15 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.276 -0.89 . . . . 0.0 112.936 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.54 63.98 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.674 0.67 . . . . 0.0 112.276 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.4 -33.22 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.64 1.109 . . . . 0.0 112.774 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -65.3 -29.55 70.32 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.15 0.98 . . . . 0.0 112.392 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -90.45 8.32 34.36 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.62 1.968 . . . . 0.0 113.144 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.72 26.93 15.23 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.54 1.936 . . . . 0.0 115.159 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -93.44 -21.75 19.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.658 1.583 . . . . 0.0 113.065 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.13 137.86 54.8 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.373 1.869 . . . . 0.0 109.057 -178.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -85.89 156.31 20.57 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.782 0.833 . . . . 0.0 112.863 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.5 mm -52.43 -53.98 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.26 1.424 . . . . 0.0 111.487 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.05 -24.95 59.6 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -69.08 -43.0 75.45 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.313 -0.867 . . . . 0.0 110.419 169.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.41 67.38 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.873 -1.142 . . . . 0.0 112.885 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.8 t -74.21 -46.69 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.109 0.868 . . . . 0.0 110.724 170.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -29.25 68.07 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.765 1.166 . . . . 0.0 113.198 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.64 -21.82 41.09 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.37 1.068 . . . . 0.0 113.129 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -76.72 -62.89 1.49 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.026 1.331 . . . . 0.0 109.986 171.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.2 m -165.93 126.97 1.32 Allowed Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 127.253 2.221 . . . . 0.0 108.743 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.39 125.84 14.03 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.525 2.15 . . . . 0.0 110.65 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -128.04 137.75 52.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.297 1.439 . . . . 0.0 112.788 -168.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -90.58 -34.41 15.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 0.0 113.008 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.18 82.42 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.412 1.482 . . . . 0.0 114.889 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.29 -170.47 42.51 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.156 1.36 . . . . 0.0 114.535 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.99 -164.4 54.73 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.242 0.925 . . . . 0.0 114.526 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 m -60.29 127.27 30.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.215 1.006 . . . . 0.0 111.924 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.87 5.93 71.28 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.256 0.931 . . . . 0.0 114.905 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.82 -168.82 32.43 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.487 1.518 . . . . 0.0 114.495 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.05 167.33 42.83 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.596 1.093 . . . . 0.0 114.736 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -74.3 149.68 40.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 0.0 112.755 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 49.26 41.56 20.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.564 1.546 . . . . 0.0 113.573 -172.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.28 153.41 37.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.076 0.95 . . . . 0.0 112.448 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.32 -34.98 67.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -63.33 -49.92 72.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.787 1.176 . . . . 0.0 111.408 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -61.03 -41.99 97.61 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.71 1.204 . . . . 0.0 111.652 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.42 -48.19 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.272 1.029 . . . . 0.0 110.919 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.59 -39.33 93.39 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.234 0.47 . . . . 0.0 112.061 175.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.2 m -62.02 -45.94 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.403 0.681 . . . . 0.0 110.718 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -67.72 -37.57 82.41 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.35 0.66 . . . . 0.0 112.595 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -66.47 -41.34 89.18 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.753 0.821 . . . . 0.0 112.654 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -73.42 -33.43 64.94 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.462 -0.774 . . . . 0.0 112.401 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.88 -12.44 61.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.549 1.14 . . . . 0.0 113.496 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 7.1 88.52 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.906 1.241 . . . . 0.0 114.625 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.26 -13.74 83.29 Favored Glycine 0 CA--C 1.545 1.917 0 C-N-CA 125.126 1.346 . . . . 0.0 114.006 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -122.51 136.17 54.82 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.877 1.671 . . . . 0.0 110.617 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.86 156.1 30.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.216 1.006 . . . . 0.0 112.219 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -58.85 -39.33 80.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.431 0.692 . . . . 0.0 112.722 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.22 98.42 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.323 0.649 . . . . 0.0 112.009 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.08 -39.83 68.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.663 0.785 . . . . 0.0 111.808 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.04 91.14 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.534 -0.729 . . . . 0.0 111.899 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.6 -45.63 92.03 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.671 -0.643 . . . . 0.0 111.948 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.48 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.843 0.857 . . . . 0.0 111.99 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.46 -31.86 70.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.638 1.175 . . . . 0.0 112.284 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.38 -34.56 68.03 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.085 0.857 . . . . 0.0 112.955 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.41 -1.76 46.88 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.99 67.32 Favored Glycine 0 CA--C 1.539 1.593 0 O-C-N 121.027 -1.046 . . . . 0.0 114.49 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -117.96 178.02 4.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.983 2.513 . . . . 0.0 111.055 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 p -114.76 146.67 36.54 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.904 1.282 . . . . 0.0 111.988 172.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -72.06 149.12 51.99 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.851 2.367 . . . . 0.0 112.904 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 138.16 58.17 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.843 0.857 . . . . 0.0 111.95 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 57.4 11.48 1.18 Allowed 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -172.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.77 65.14 4.97 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 127.106 2.163 . . . . 0.0 115.591 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.16 72.84 3.97 Favored 'Trans proline' 0 CA--C 1.549 1.255 0 C-N-CA 124.67 3.58 . . . . 0.0 112.168 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 48.18 52.22 12.13 Favored Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 127.238 2.215 . . . . 0.0 114.718 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 C--O 1.254 1.277 0 C-N-CA 123.189 2.593 . . . . 0.0 112.924 173.68 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.02 161.17 46.96 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 124.047 3.165 . . . . 0.0 112.814 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.23 145.79 43.31 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.044 0.83 . . . . 0.0 113.66 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -73.81 158.86 33.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 113.089 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -120.24 155.98 32.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.368 1.467 . . . . 0.0 112.177 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.3 p -94.77 -16.76 22.75 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -167.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 -19.53 60.56 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.7 1.143 . . . . 0.0 115.637 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.99 -10.47 59.77 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.42 -142.81 9.36 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.306 1.431 . . . . 0.0 114.466 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 148.94 98.68 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.472 1.509 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.76 156.13 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.532 2.822 . . . . 0.0 112.766 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -95.7 157.91 15.69 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.613 1.565 . . . . 0.0 112.672 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -55.87 -25.43 42.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 163.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.2 64.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -74.61 -35.43 62.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.824 0.85 . . . . 0.0 112.154 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.18 -48.69 64.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.314 1.046 . . . . 0.0 111.138 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.92 -39.48 74.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 112.986 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.08 86.01 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.51 -43.65 59.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.233 1.413 . . . . 0.0 110.98 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.72 -38.56 89.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 112.606 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -62.54 -30.41 71.28 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.087 0.858 . . . . 0.0 113.011 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.6 69.09 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.097 0.862 . . . . 0.0 111.664 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.61 -35.5 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.92 -1.113 . . . . 0.0 112.244 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -70.08 -24.7 63.27 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.11 14.16 24.82 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.477 1.511 . . . . 0.0 113.215 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.88 27.05 15.65 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.73 2.012 . . . . 0.0 114.705 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -83.59 -27.71 29.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.75 1.22 . . . . 0.0 112.334 170.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 143.09 51.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.815 1.646 . . . . 0.0 109.312 -172.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -81.6 155.61 25.58 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.14 -0.975 . . . . 0.0 112.474 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.76 -46.67 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.076 1.35 . . . . 0.0 110.696 168.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.66 -35.5 52.34 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.147 -0.971 . . . . 0.0 112.233 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.52 -26.62 62.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.082 0.953 . . . . 0.0 112.197 175.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.46 -40.66 64.0 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.005 -1.059 . . . . 0.0 111.768 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.21 -40.94 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 110.759 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -68.8 -24.28 64.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.4 mt -88.69 -35.25 16.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.69 1.196 . . . . 0.0 112.524 173.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -78.49 -36.78 44.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.712 1.205 . . . . 0.0 113.72 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.4 m -63.67 132.41 95.19 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.545 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.27 146.48 60.63 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.358 2.705 . . . . 0.0 113.838 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -72.67 -18.49 61.55 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.471 1.109 . . . . 0.0 113.658 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.21 146.52 37.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.844 2.058 . . . . 0.0 111.145 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.23 -168.22 44.05 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 114.31 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.67 -7.23 59.07 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.458 1.504 . . . . 0.0 116.3 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.18 175.86 54.6 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.553 1.177 . . . . 0.0 113.844 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -73.39 -6.88 49.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.749 1.22 . . . . 0.0 114.081 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.47 4.67 55.05 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 125.829 1.68 . . . . 0.0 116.097 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.69 166.05 46.94 Favored Glycine 0 CA--C 1.544 1.882 0 C-N-CA 124.616 1.103 . . . . 0.0 113.83 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.54 172.82 45.49 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.656 1.122 . . . . 0.0 114.113 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.5 p -94.6 17.25 13.64 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 40.1 mtm -139.28 125.2 19.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.846 1.659 . . . . 0.0 110.03 172.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.65 148.28 50.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.674 1.19 . . . . 0.0 112.978 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.23 75.85 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.29 -0.881 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -56.99 -52.7 64.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.712 1.205 . . . . 0.0 111.415 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.94 -43.02 95.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.604 1.162 . . . . 0.0 111.536 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.09 -47.55 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.832 0.853 . . . . 0.0 111.343 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.85 -38.32 90.35 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.65 -0.657 . . . . 0.0 111.545 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -61.48 -45.9 92.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 0.0 110.887 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -68.23 -41.91 80.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.019 0.927 . . . . 0.0 112.537 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.23 -45.98 90.89 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.561 1.144 . . . . 0.0 112.098 177.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -70.44 -34.38 72.39 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.81 -13.13 61.24 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.158 0.983 . . . . 0.0 113.312 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.27 82.2 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.809 1.195 . . . . 0.0 114.617 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.53 -8.27 87.71 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.095 1.331 . . . . 0.0 114.135 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -138.05 141.27 40.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.234 1.813 . . . . 0.0 110.788 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.44 154.53 23.91 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.254 1.022 . . . . 0.0 111.604 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.55 -39.7 84.86 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.292 0.637 . . . . 0.0 112.521 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.6 94.67 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 0.0 112.296 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.13 67.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.634 0.774 . . . . 0.0 111.595 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.431 0.693 . . . . 0.0 111.396 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.61 -42.39 88.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.043 0.937 . . . . 0.0 112.688 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.11 79.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.727 0.811 . . . . 0.0 113.059 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -32.82 18.34 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.184 1.394 . . . . 0.0 112.34 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.12 -35.51 79.89 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.011 1.325 . . . . 0.0 112.233 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -15.56 57.57 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.42 18.52 77.81 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.034 1.302 . . . . 0.0 115.927 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -97.59 -18.19 19.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.118 1.367 . . . . 0.0 113.642 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.3 p 64.01 144.33 0.08 OUTLIER Pre-proline 0 N--CA 1.486 1.37 0 C-N-CA 129.317 3.047 . . . . 0.0 115.369 -177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.04 156.58 51.84 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.051 2.501 . . . . 0.0 112.662 -174.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.3 159.03 43.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.583 1.553 . . . . 0.0 112.726 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.75 166.3 27.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.194 1.398 . . . . 0.0 112.51 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.14 147.87 52.19 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.275 1.43 . . . . 0.0 110.99 170.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.09 15.06 1.94 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 124.337 3.358 . . . . 0.0 114.147 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.27 148.0 83.3 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 125.906 1.683 . . . . 0.0 112.447 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--O 1.252 1.213 0 C-N-CA 123.619 2.879 . . . . 0.0 113.167 178.269 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -67.32 -22.36 46.14 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.624 2.883 . . . . 0.0 115.883 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.43 -148.88 42.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.243 0.925 . . . . 0.0 113.253 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.3 t -142.66 151.57 41.54 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.036 1.334 . . . . 0.0 111.37 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -147.28 145.86 29.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.711 1.604 . . . . 0.0 111.511 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.2 p -139.15 149.97 45.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.616 1.567 . . . . 0.0 111.881 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.46 -32.54 50.93 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.855 0.74 . . . . 0.0 114.592 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.83 -173.42 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.019 2.127 . . . . 0.0 115.404 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.96 2.96 90.7 Favored Glycine 0 CA--C 1.538 1.472 0 N-CA-C 116.289 1.276 . . . . 0.0 116.289 175.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -141.79 152.26 62.05 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 126.01 1.724 . . . . 0.0 111.544 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.22 146.11 68.61 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.851 2.367 . . . . 0.0 111.565 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -75.13 162.86 28.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.439 -0.788 . . . . 0.0 112.204 176.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -57.66 -24.7 58.01 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.677 -0.639 . . . . 0.0 112.071 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.25 28.48 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.777 0.717 . . . . 0.0 112.391 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.52 -42.21 95.99 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.678 0.791 . . . . 0.0 111.607 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -71.64 -47.62 53.24 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.869 1.267 . . . . 0.0 112.082 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.0 -38.41 82.53 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.56 1.073 . . . . 0.0 112.615 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.81 93.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.699 0.799 . . . . 0.0 112.461 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.12 -49.1 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.289 1.035 . . . . 0.0 111.1 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.18 -39.91 86.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.158 1.383 . . . . 0.0 111.87 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -62.8 -30.03 71.16 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.256 -0.903 . . . . 0.0 112.605 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.55 -35.54 63.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.197 0.599 . . . . 0.0 112.546 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 p -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.247 -0.908 . . . . 0.0 112.166 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.05 -33.73 76.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 112.484 173.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.8 15.29 13.22 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.379 1.472 . . . . 0.0 113.267 174.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.9 t30 60.62 20.77 10.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.143 1.777 . . . . 0.0 115.431 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -84.73 -28.1 26.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.696 1.198 . . . . 0.0 112.569 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.01 141.87 51.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.87 1.668 . . . . 0.0 109.147 -173.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 m -89.83 159.25 17.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.666 1.186 . . . . 0.0 112.475 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.5 mm -53.37 -53.26 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.748 1.219 . . . . 0.0 110.875 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.0 -30.11 67.34 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.744 -0.598 . . . . 0.0 112.157 -175.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -74.16 -37.56 63.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.551 0.74 . . . . 0.0 111.211 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.7 74.36 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.66 -1.275 . . . . 0.0 111.981 174.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.9 t -71.48 -40.79 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.709 0.804 . . . . 0.0 110.917 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -26.02 62.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.094 0.861 . . . . 0.0 113.269 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.5 mt -87.21 -13.46 43.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.697 1.199 . . . . 0.0 113.694 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -73.67 -35.04 65.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.706 1.203 . . . . 0.0 113.068 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -46.6 115.12 3.04 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.791 1.636 . . . . 0.0 114.061 -162.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -62.14 150.49 86.5 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 123.105 2.537 . . . . 0.0 114.09 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.02 1.12 54.96 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 114.536 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -125.29 147.54 49.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 127.177 2.191 . . . . 0.0 111.147 -177.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.29 -14.42 56.75 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 115.738 1.055 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -0.46 67.39 Favored Glycine 0 CA--C 1.543 1.819 0 C-N-CA 125.252 1.406 . . . . 0.0 115.785 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.3 150.58 37.08 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.021 1.411 . . . . 0.0 114.327 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.6 t -73.41 147.61 44.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.279 1.032 . . . . 0.0 112.628 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.29 159.27 21.63 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.137 1.351 . . . . 0.0 113.562 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.0 -166.92 37.79 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.557 1.075 . . . . 0.0 113.494 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.86 -5.06 73.64 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.038 1.304 . . . . 0.0 115.069 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -143.74 171.27 14.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.668 1.987 . . . . 0.0 110.715 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mtp 54.59 42.67 31.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.914 1.686 . . . . 0.0 113.368 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -71.86 141.38 49.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.557 0.743 . . . . 0.0 111.049 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.9 85.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.243 1.017 . . . . 0.0 112.645 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.86 -51.95 67.51 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.956 0.902 . . . . 0.0 111.1 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.62 -41.67 95.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 111.599 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.91 -48.57 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.073 0.949 . . . . 0.0 111.244 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.84 -37.32 86.35 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.598 -0.689 . . . . 0.0 111.697 175.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.3 m -63.13 -45.91 89.74 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.981 0.809 . . . . 0.0 110.835 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -66.51 -40.85 89.43 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.673 0.789 . . . . 0.0 112.354 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.31 -45.78 89.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.887 0.875 . . . . 0.0 111.995 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -71.91 -34.52 69.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.36 -15.15 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.224 1.01 . . . . 0.0 113.561 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.26 11.92 81.49 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.725 1.155 . . . . 0.0 114.7 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.02 90.01 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.256 1.408 . . . . 0.0 114.17 171.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 tp -137.43 140.49 41.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 110.664 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -79.99 157.79 26.72 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.742 0.817 . . . . 0.0 112.42 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -65.8 -34.29 77.82 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.175 -0.953 . . . . 0.0 112.688 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.25 93.6 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.142 0.977 . . . . 0.0 112.358 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.78 -39.13 70.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.453 0.701 . . . . 0.0 111.826 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.7 95.28 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.589 -0.695 . . . . 0.0 111.279 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.58 -46.95 85.85 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.815 0.734 . . . . 0.0 112.051 174.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.72 55.12 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.553 0.741 . . . . 0.0 111.709 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.83 -37.41 81.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.683 1.193 . . . . 0.0 112.187 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.66 -33.96 75.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.998 0.817 . . . . 0.0 113.129 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.55 25.97 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.21 17.89 80.14 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.738 1.161 . . . . 0.0 114.69 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -107.02 179.18 4.34 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.077 2.151 . . . . 0.0 110.803 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.0 p -116.92 154.91 49.71 Favored Pre-proline 0 N--CA 1.479 1.002 0 C-N-CA 124.909 1.284 . . . . 0.0 111.792 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -58.94 142.46 99.25 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.193 2.595 . . . . 0.0 113.615 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.37 156.4 17.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.769 1.228 . . . . 0.0 113.185 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.33 153.07 36.89 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.73 1.612 . . . . 0.0 111.521 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.8 131.2 50.02 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 111.452 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -83.7 10.07 3.84 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.068 3.179 . . . . 0.0 114.591 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -145.97 143.85 20.48 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 127.198 2.199 . . . . 0.0 111.268 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 C--O 1.255 1.361 0 C-N-CA 123.57 2.846 . . . . 0.0 114.155 176.318 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -61.12 164.94 13.38 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 124.355 3.37 . . . . 0.0 114.34 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.67 -2.47 56.35 Favored Glycine 0 CA--C 1.542 1.762 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p -136.45 159.41 41.86 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.404 1.882 . . . . 0.0 112.159 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -145.04 159.2 43.32 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.13 1.372 . . . . 0.0 112.103 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -78.66 140.41 38.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.909 1.284 . . . . 0.0 113.574 -175.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.55 -167.08 36.56 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.914 1.245 . . . . 0.0 113.878 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.76 -153.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.236 1.814 . . . . 0.0 114.403 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.51 -158.7 21.0 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.474 1.511 . . . . 0.0 113.712 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -86.5 146.89 42.84 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.995 1.318 . . . . 0.0 112.271 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -62.54 149.11 92.11 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.14 2.56 . . . . 0.0 114.575 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -98.4 136.95 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.742 1.617 . . . . 0.0 110.841 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -58.07 -27.64 63.83 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.45 -34.33 58.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.498 0.719 . . . . 0.0 112.781 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.92 -36.62 62.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.552 1.141 . . . . 0.0 112.104 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.1 -50.13 67.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.296 1.038 . . . . 0.0 111.267 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.19 -38.03 70.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.177 0.991 . . . . 0.0 113.075 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.56 78.91 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.725 0.81 . . . . 0.0 112.449 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.06 -32.71 67.33 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.018 1.327 . . . . 0.0 112.617 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -72.58 -37.86 68.04 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.467 1.507 . . . . 0.0 112.108 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -65.59 -35.38 80.65 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.064 -1.022 . . . . 0.0 112.366 169.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.05 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -75.95 -30.48 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 120.635 -1.291 . . . . 0.0 112.786 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -68.08 -29.7 68.72 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.1 10.56 40.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.256 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.268 3.3 t-20 51.89 36.12 17.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.104 2.561 . . . . 0.0 114.536 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -77.32 -27.44 52.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.199 1.0 . . . . 0.0 110.808 161.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.05 162.9 15.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.787 2.035 . . . . 0.0 109.295 164.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.8 m -121.33 158.01 29.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.52 1.528 . . . . 0.0 111.368 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mm -53.5 -47.66 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.884 1.274 . . . . 0.0 111.374 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.77 -29.26 58.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.45 -0.781 . . . . 0.0 112.6 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -73.42 -32.56 64.49 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.427 -0.795 . . . . 0.0 110.886 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.89 87.03 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 120.454 -1.404 . . . . 0.0 111.558 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.39 -38.14 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.763 0.825 . . . . 0.0 110.622 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -71.96 -27.73 62.97 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -82.23 -32.67 29.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.076 0.951 . . . . 0.0 112.937 172.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.78 -39.73 69.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.676 1.59 . . . . 0.0 111.901 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m 60.62 102.0 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.753 2.421 . . . . 0.0 112.086 -168.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.64 141.46 85.9 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.167 2.578 . . . . 0.0 113.438 -168.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -118.87 149.95 40.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.912 1.685 . . . . 0.0 111.201 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -73.04 139.55 46.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.928 1.291 . . . . 0.0 112.998 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.25 -15.18 77.37 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 124.417 1.008 . . . . 0.0 114.092 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -177.6 171.49 44.14 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 125.109 1.337 . . . . 0.0 113.719 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.21 6.83 40.75 Favored Glycine 0 CA--C 1.542 1.776 0 C-N-CA 125.786 1.66 . . . . 0.0 116.386 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -143.91 157.8 44.11 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.909 1.683 . . . . 0.0 111.702 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.54 -165.09 47.77 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.644 1.116 . . . . 0.0 114.64 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.25 176.47 42.66 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.127 1.346 . . . . 0.0 112.879 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.55 6.21 75.88 Favored Glycine 0 CA--C 1.539 1.571 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -132.42 138.36 47.62 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.335 1.454 . . . . 0.0 111.078 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 53.22 37.43 25.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.236 1.414 . . . . 0.0 112.851 -172.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.12 157.97 32.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.539 1.135 . . . . 0.0 110.488 166.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.99 62.11 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.465 -0.772 . . . . 0.0 112.875 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.9 -51.62 69.25 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 112.215 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -64.16 -41.1 97.29 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.881 0.472 . . . . 0.0 111.366 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.87 -48.14 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.478 1.111 . . . . 0.0 111.138 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.3 -40.14 93.41 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.678 -0.639 . . . . 0.0 112.007 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.8 m -61.78 -46.98 87.22 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 0.698 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -68.97 -38.09 79.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.662 0.785 . . . . 0.0 112.433 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -61.81 -44.21 97.32 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.314 0.961 . . . . 0.0 112.023 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -73.77 -33.57 64.32 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.33 -22.77 59.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.494 1.118 . . . . 0.0 113.799 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.09 10.28 62.7 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.577 1.084 . . . . 0.0 114.759 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.67 86.94 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.665 1.126 . . . . 0.0 113.766 168.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 tp -139.75 139.39 36.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.021 1.728 . . . . 0.0 111.525 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.63 157.92 22.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.458 1.103 . . . . 0.0 112.282 174.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.64 -40.48 83.53 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.633 0.773 . . . . 0.0 112.785 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.722 0.809 . . . . 0.0 112.155 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.55 70.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.622 0.769 . . . . 0.0 111.772 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.17 86.66 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.304 -0.872 . . . . 0.0 111.805 175.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -61.36 -45.65 93.52 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.752 -0.593 . . . . 0.0 111.652 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.97 75.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.483 0.713 . . . . 0.0 112.5 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 mp -71.54 -35.37 70.62 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.811 1.244 . . . . 0.0 112.204 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.94 -35.53 80.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.949 0.795 . . . . 0.0 112.789 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.15 -1.89 34.84 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.49 19.8 75.64 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.794 1.188 . . . . 0.0 115.68 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -112.46 167.88 10.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.377 1.871 . . . . 0.0 112.54 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -67.62 150.45 97.82 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 123.986 0.914 . . . . 0.0 112.256 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.98 172.58 15.16 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 123.621 2.881 . . . . 0.0 113.016 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.72 -178.82 0.14 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.025 2.13 . . . . 0.0 115.231 -175.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 156.65 34.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.264 1.425 . . . . 0.0 114.027 -172.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 45.38 59.86 14.07 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.335 1.854 . . . . 0.0 114.642 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -79.8 62.65 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 124.53 3.486 . . . . 0.0 112.298 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -147.1 161.18 37.71 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 126.68 1.992 . . . . 0.0 112.398 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 C--O 1.256 1.417 0 C-N-CA 124.024 3.149 . . . . 0.0 114.36 176.329 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -21.72 64.07 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.38 -42.09 13.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.565 1.146 . . . . 0.0 112.223 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -75.24 -47.71 26.83 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 124.899 1.28 . . . . 0.0 112.172 -174.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.65 -34.12 77.14 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.243 -0.91 . . . . 0.0 112.153 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.3 89.05 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.407 1.083 . . . . 0.0 112.672 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.17 -42.44 31.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 111.506 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.29 -36.11 82.12 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.15 1.38 . . . . 0.0 113.072 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.4 m -61.51 -36.39 80.4 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.306 0.957 . . . . 0.0 112.541 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.44 71.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.022 0.374 . . . . 0.0 111.751 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 p -84.29 -31.34 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.084 -1.01 . . . . 0.0 112.12 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -62.75 -35.85 81.12 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.148 0.979 . . . . 0.0 112.556 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -88.87 8.54 28.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.46 1.504 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.6 27.51 15.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.347 1.859 . . . . 0.0 114.397 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -82.93 -28.5 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.297 1.039 . . . . 0.0 112.038 168.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.16 138.98 53.29 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.017 1.727 . . . . 0.0 109.442 -171.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -80.52 157.01 26.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.919 0.888 . . . . 0.0 112.766 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mm -55.43 -45.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.112 1.365 . . . . 0.0 110.148 168.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.64 -36.32 73.36 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.307 -0.871 . . . . 0.0 111.533 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -43.01 73.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.074 0.95 . . . . 0.0 110.7 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 -25.35 68.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.718 -1.239 . . . . 0.0 113.121 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -77.47 -41.12 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.717 1.207 . . . . 0.0 111.198 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -29.11 60.31 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 124.42 1.088 . . . . 0.0 113.921 176.034 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.75 66.08 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.32 -50.47 72.85 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.11 0.964 . . . . 0.0 111.547 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.66 -38.75 87.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.321 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.409 HG21 ' HG ' ' A' ' 73' ' ' LEU . 63.1 mt -62.1 -50.51 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.701 0.8 . . . . 0.0 111.194 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.86 -39.91 94.31 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.119 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -60.29 -46.76 88.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.914 0.779 . . . . 0.0 110.961 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.34 -38.44 71.64 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.38 -44.88 95.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.879 0.763 . . . . 0.0 111.375 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -70.98 -36.2 72.42 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.72 -15.33 62.19 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.386 1.075 . . . . 0.0 113.375 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.33 10.52 79.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.841 1.21 . . . . 0.0 114.403 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.68 -5.97 89.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.562 1.554 . . . . 0.0 114.622 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.5 tp -133.05 137.29 46.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.095 1.758 . . . . 0.0 110.571 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.16 154.47 40.3 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 0.0 112.425 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -61.27 -38.01 85.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.491 0.716 . . . . 0.0 112.302 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.18 96.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.229 1.012 . . . . 0.0 111.986 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.04 81.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.566 0.746 . . . . 0.0 111.889 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.62 77.12 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.069 0.548 . . . . 0.0 111.223 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.02 -42.52 99.25 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.388 -0.82 . . . . 0.0 112.312 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.96 70.63 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.357 0.663 . . . . 0.0 112.483 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 mp -71.14 -31.97 68.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.232 1.013 . . . . 0.0 112.425 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HG ' HG21 ' A' ' 55' ' ' ILE . 96.5 mt -69.71 -36.22 75.72 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.004 0.82 . . . . 0.0 112.688 171.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.99 60.81 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 C-N-CA 125.154 1.359 . . . . 0.0 114.791 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.25 -27.74 60.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.638 0.775 . . . . 0.0 112.637 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.87 -41.08 27.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.015 0.926 . . . . 0.0 112.039 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.77 -53.57 48.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.223 1.009 . . . . 0.0 111.571 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.51 -34.0 76.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.218 -0.927 . . . . 0.0 113.071 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.85 75.71 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.626 0.771 . . . . 0.0 112.268 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.19 -51.71 42.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.745 1.218 . . . . 0.0 111.101 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.4 -38.68 87.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.767 1.227 . . . . 0.0 112.0 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.4 m -60.53 -27.18 67.43 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.47 -35.83 24.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.499 0.59 . . . . 0.0 112.497 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.45 -36.72 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.83 1.195 . . . . 0.0 112.367 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -59.93 -28.67 67.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.798 1.239 . . . . 0.0 112.664 172.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -102.13 16.03 27.32 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.466 1.906 . . . . 0.0 113.236 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.9 t30 60.26 20.8 10.23 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.428 1.891 . . . . 0.0 114.74 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -91.62 -17.94 24.78 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.435 1.494 . . . . 0.0 113.515 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.12 138.75 49.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 109.287 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -83.58 158.22 22.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.449 1.1 . . . . 0.0 112.726 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.59 -52.77 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.549 1.14 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.16 -25.96 42.78 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.631 -0.668 . . . . 0.0 112.784 -173.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -69.09 -37.77 78.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.35 0.66 . . . . 0.0 110.82 169.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.96 -32.1 73.12 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.747 -1.22 . . . . 0.0 112.481 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.16 -38.57 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.3 -0.875 . . . . 0.0 110.635 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -22.77 55.63 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 124.465 1.106 . . . . 0.0 113.2 173.777 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 t0 . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.9 -36.37 67.6 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.742 -1.224 . . . . 0.0 113.255 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.7 -44.2 81.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.071 1.348 . . . . 0.0 112.783 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -71.13 -41.74 70.12 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.271 1.028 . . . . 0.0 110.94 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.71 -47.83 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.237 1.015 . . . . 0.0 111.362 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.21 -36.09 82.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.599 -0.688 . . . . 0.0 111.572 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.8 m -62.01 -44.66 96.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.688 0.677 . . . . 0.0 111.362 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 -38.14 82.23 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.466 0.707 . . . . 0.0 112.461 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -70.0 -39.27 75.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -73.45 -33.88 65.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.362 0.665 . . . . 0.0 112.749 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.67 -12.18 61.2 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.548 1.139 . . . . 0.0 112.808 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.39 88.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.148 1.356 . . . . 0.0 114.222 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -12.65 84.22 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.055 1.312 . . . . 0.0 114.413 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 tp -121.18 143.27 49.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.272 1.829 . . . . 0.0 110.924 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.18 157.79 18.71 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.301 1.04 . . . . 0.0 112.045 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -59.14 -39.84 83.64 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.453 -0.779 . . . . 0.0 112.902 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.71 95.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.579 0.751 . . . . 0.0 112.46 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 -38.92 67.19 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.409 0.684 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.12 85.38 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.113 -0.992 . . . . 0.0 111.536 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.19 -43.23 92.21 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.492 -0.755 . . . . 0.0 112.321 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.67 40.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.453 0.701 . . . . 0.0 112.106 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -36.75 84.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.766 1.226 . . . . 0.0 112.415 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.47 -32.58 71.58 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.104 0.866 . . . . 0.0 113.201 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.81 -3.01 42.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.592 0 C-N-CA 124.757 1.17 . . . . 0.0 115.028 -178.239 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 . . . . . 0 N--CA 1.467 0.385 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.49 44.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.157 0.983 . . . . 0.0 113.388 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -68.73 -38.74 80.39 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.588 0.709 . . . . 0.0 111.488 171.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.74 -49.45 65.94 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.299 1.039 . . . . 0.0 111.044 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -55.36 -40.78 71.71 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.663 0.665 . . . . 0.0 112.528 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.96 83.34 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.705 0.802 . . . . 0.0 112.433 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.85 -48.88 72.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.03 -41.57 95.14 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.309 1.443 . . . . 0.0 111.937 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -60.13 -27.06 66.75 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.34 -0.85 . . . . 0.0 112.941 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.14 -31.83 34.0 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.07 -33.63 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.688 -1.257 . . . . 0.0 112.344 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.85 -26.38 68.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.878 1.271 . . . . 0.0 112.625 170.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -98.23 11.4 38.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.426 1.89 . . . . 0.0 112.679 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 61.34 21.03 11.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.903 2.081 . . . . 0.0 115.214 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -99.64 -10.72 21.65 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.64 1.576 . . . . 0.0 114.365 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -126.68 137.47 53.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.971 1.708 . . . . 0.0 108.686 173.708 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -84.64 157.69 21.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.171 0.988 . . . . 0.0 112.601 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -54.44 -53.76 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.727 1.211 . . . . 0.0 110.848 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.57 -32.15 73.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.591 0.757 . . . . 0.0 111.762 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -72.33 -41.75 66.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.778 0.831 . . . . 0.0 111.297 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -66.33 -29.38 69.56 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.379 -1.45 . . . . 0.0 112.412 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.45 -47.72 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.676 -0.64 . . . . 0.0 109.987 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -25.92 63.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.815 1.189 . . . . 0.0 113.858 -173.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.56 1.144 . . . . 0.0 113.114 173.205 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.88 55.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.126 0.97 . . . . 0.0 113.422 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.5 -51.13 70.69 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.199 0.909 . . . . 0.0 111.997 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.27 -40.04 81.99 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.97 -0.456 . . . . 0.0 111.37 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.0 mt -60.51 -48.43 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.325 1.05 . . . . 0.0 110.882 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.55 -37.9 88.05 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.619 -0.676 . . . . 0.0 112.139 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.3 m -62.8 -43.21 99.39 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.125 0.875 . . . . 0.0 110.986 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -66.2 -41.09 90.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.177 0.991 . . . . 0.0 112.257 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.77 -37.73 73.39 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -73.35 -33.84 65.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.709 0.686 . . . . 0.0 112.336 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -73.05 -12.36 60.89 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.48 1.112 . . . . 0.0 113.258 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.32 9.9 83.04 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.6 1.095 . . . . 0.0 114.867 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.47 -6.12 88.0 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.291 1.424 . . . . 0.0 114.245 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 tp -131.95 145.07 51.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.35 1.86 . . . . 0.0 110.573 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.34 156.8 20.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.148 0.979 . . . . 0.0 111.732 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -66.23 -35.43 80.4 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.251 -0.906 . . . . 0.0 112.705 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.81 95.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 112.39 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.83 -37.78 73.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.581 0.752 . . . . 0.0 111.791 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.06 91.93 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.509 -0.744 . . . . 0.0 111.721 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.86 -44.98 93.84 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.141 -0.974 . . . . 0.0 111.553 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.33 48.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.687 0.795 . . . . 0.0 111.7 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.32 -35.53 77.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.64 1.176 . . . . 0.0 112.239 -175.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.93 -33.66 72.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.298 0.954 . . . . 0.0 112.749 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.02 7.56 7.1 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.615 1.166 . . . . 0.0 114.103 170.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 C-N-CA 124.824 1.202 . . . . 0.0 115.235 176.582 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -32.45 62.73 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -75.41 -37.29 60.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.895 0.878 . . . . 0.0 111.873 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.18 -49.21 65.47 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.269 1.028 . . . . 0.0 111.499 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.91 -37.42 79.4 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.77 0.828 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.13 94.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.611 0.765 . . . . 0.0 112.371 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.91 -50.09 45.67 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.327 1.051 . . . . 0.0 110.991 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.661 1.184 . . . . 0.0 111.797 -173.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -60.36 -29.14 68.72 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.475 -0.766 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.08 44.26 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.45 -35.47 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 120.827 -1.171 . . . . 0.0 111.686 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.81 -31.4 72.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.33 1.052 . . . . 0.0 112.946 171.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -86.58 6.15 32.2 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.546 1.538 . . . . 0.0 113.548 174.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.38 37.97 29.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.918 1.687 . . . . 0.0 113.302 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -102.95 -17.05 15.65 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.12 1.768 . . . . 0.0 113.302 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -127.1 141.11 51.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.947 1.699 . . . . 0.0 109.404 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -90.25 159.19 16.82 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.637 1.175 . . . . 0.0 113.755 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.4 mm -55.83 -53.33 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.131 1.373 . . . . 0.0 110.858 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.86 -30.81 67.3 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.516 -0.74 . . . . 0.0 112.144 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.03 -46.37 81.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.2 1.0 . . . . 0.0 111.103 171.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.45 -30.72 71.55 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.705 -1.247 . . . . 0.0 112.618 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.4 t -73.63 -42.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 t -71.33 -27.75 63.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.234 0.924 . . . . 0.0 113.405 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 124.417 1.087 . . . . 0.0 113.372 173.804 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.26 69.58 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.03 -51.89 67.7 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.1 0.864 . . . . 0.0 110.964 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.44 -41.42 98.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.799 0.84 . . . . 0.0 112.048 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.46 -49.5 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.188 0.995 . . . . 0.0 110.433 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.4 -38.2 89.25 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.401 0.546 . . . . 0.0 111.79 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.1 m -61.03 -47.3 87.03 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.056 0.844 . . . . 0.0 110.934 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.7 -45.36 94.32 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.501 0.591 . . . . 0.0 111.602 173.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -66.33 -35.26 79.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.587 0.755 . . . . 0.0 112.926 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.0 -36.31 61.97 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.692 -0.63 . . . . 0.0 112.688 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -72.97 -13.51 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.898 1.279 . . . . 0.0 113.636 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.48 8.55 77.25 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.537 1.065 . . . . 0.0 114.719 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.63 3.91 80.87 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.136 1.827 . . . . 0.0 114.863 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 tp -143.6 153.02 42.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.375 1.87 . . . . 0.0 110.145 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -100.06 157.16 16.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.041 1.336 . . . . 0.0 111.795 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -66.18 -32.4 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.142 -0.974 . . . . 0.0 113.243 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.31 98.35 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.847 0.859 . . . . 0.0 112.425 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.71 70.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.132 0.573 . . . . 0.0 111.363 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.39 89.74 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.834 0.743 . . . . 0.0 111.339 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -59.82 -45.9 90.94 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.465 -0.772 . . . . 0.0 112.639 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.59 69.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.819 0.847 . . . . 0.0 112.387 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.85 -37.08 78.89 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.811 1.244 . . . . 0.0 111.927 -175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.35 -32.79 68.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.11 -0.84 17.86 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 C-N-CA 124.893 1.235 . . . . 0.0 115.362 174.798 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -30.23 52.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.593 1.157 . . . . 0.0 113.232 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.78 -35.47 64.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.801 0.84 . . . . 0.0 111.615 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.17 -52.43 62.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.973 0.909 . . . . 0.0 110.532 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.51 -39.12 72.79 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.484 -0.76 . . . . 0.0 112.824 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.53 77.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.636 0.774 . . . . 0.0 112.477 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.09 -48.1 72.07 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.172 0.989 . . . . 0.0 111.079 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.06 -36.72 84.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.992 0.917 . . . . 0.0 111.864 -173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -59.52 -33.73 71.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.83 58.93 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.498 0.59 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.9 -33.1 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.251 -0.905 . . . . 0.0 111.726 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -63.96 -26.59 68.65 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.244 1.018 . . . . 0.0 112.627 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.49 14.01 31.35 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.277 1.831 . . . . 0.0 112.249 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 61.78 18.89 10.11 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.379 1.872 . . . . 0.0 115.251 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -99.16 -10.79 22.04 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.134 1.374 . . . . 0.0 114.327 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -129.73 135.66 48.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.894 1.678 . . . . 0.0 108.776 177.106 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 m -84.49 160.38 20.55 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mm -55.83 -52.7 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.294 1.038 . . . . 0.0 110.891 175.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.51 -32.71 72.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -66.73 -45.46 78.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.061 0.944 . . . . 0.0 110.525 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.63 -27.54 68.46 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 112.901 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.1 t -75.43 -40.12 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 118.773 0.715 . . . . 0.0 110.768 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -30.59 62.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.454 1.025 . . . . 0.0 113.31 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.059 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.751 0.31 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.05 61.77 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.868 0.867 . . . . 0.0 113.0 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -56.54 -48.48 77.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.086 1.354 . . . . 0.0 112.471 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.46 -40.96 73.37 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.279 0.631 . . . . 0.0 111.377 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.77 -47.31 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.005 0.922 . . . . 0.0 111.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.58 -38.62 91.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.351 0.523 . . . . 0.0 112.187 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -61.97 -46.2 90.31 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.55 0.614 . . . . 0.0 111.136 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -65.21 -42.41 93.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.138 0.975 . . . . 0.0 112.428 176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -63.78 -43.37 96.57 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -72.14 -37.29 69.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.404 0.547 . . . . 0.0 112.386 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.19 -15.94 63.51 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.426 1.09 . . . . 0.0 113.386 173.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.19 73.55 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.047 1.308 . . . . 0.0 114.337 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.23 -7.04 88.91 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.925 1.25 . . . . 0.0 114.652 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.84 141.7 46.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.769 2.028 . . . . 0.0 110.757 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.45 159.64 17.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.176 0.99 . . . . 0.0 112.427 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -56.19 -43.1 78.14 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.247 1.019 . . . . 0.0 112.921 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.83 98.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.572 0.749 . . . . 0.0 112.17 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.0 -36.77 69.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.429 0.692 . . . . 0.0 112.161 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -46.69 88.97 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.223 -0.923 . . . . 0.0 111.599 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -61.16 -44.77 96.79 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.722 0.692 . . . . 0.0 111.789 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.7 64.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.566 0.746 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.26 -35.69 73.95 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.67 1.188 . . . . 0.0 112.198 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.0 -35.27 80.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.07 -1.019 . . . . 0.0 112.511 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.65 -10.36 59.37 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.475 0 C-N-CA 125.176 1.369 . . . . 0.0 115.339 -178.098 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 -35.33 58.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.41 0.684 . . . . 0.0 112.29 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.94 -35.18 64.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.13 0.972 . . . . 0.0 111.896 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 mt -69.04 -43.0 75.57 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.556 1.142 . . . . 0.0 111.553 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.25 -40.56 86.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.528 1.058 . . . . 0.0 112.322 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.13 92.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.305 0.642 . . . . 0.0 112.363 177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.8 tp -70.14 -49.8 47.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.932 0.893 . . . . 0.0 111.327 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.6 -42.79 86.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.403 1.481 . . . . 0.0 112.217 -173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -32.54 72.82 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.064 -1.023 . . . . 0.0 112.31 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.39 70.09 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.54 -0.725 . . . . 0.0 111.975 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 p -79.0 -32.12 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.927 -1.108 . . . . 0.0 112.508 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -69.72 -25.91 64.08 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.82 8.12 38.71 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.552 1.541 . . . . 0.0 114.027 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.9 t30 58.8 27.04 15.51 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.587 1.955 . . . . 0.0 114.603 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -83.63 -23.54 31.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.591 1.156 . . . . 0.0 112.358 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.87 143.01 51.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.857 2.063 . . . . 0.0 108.572 -175.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -91.26 159.34 16.09 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.859 -1.15 . . . . 0.0 113.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.3 mm -55.24 -53.12 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.303 1.441 . . . . 0.0 110.429 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -66.62 -32.41 73.71 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.638 -0.664 . . . . 0.0 111.804 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.69 -46.02 70.12 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.348 1.059 . . . . 0.0 111.213 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.78 68.04 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.187 -0.946 . . . . 0.0 113.068 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -76.49 -41.82 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.427 1.091 . . . . 0.0 111.216 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -30.37 62.24 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.409 1.004 . . . . 0.0 113.087 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 123.644 0.777 . . . . 0.0 112.831 173.503 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 120.879 0.371 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.27 -39.29 63.78 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.31 -50.15 74.15 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.014 0.825 . . . . 0.0 110.914 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.29 -41.4 98.46 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.194 0.997 . . . . 0.0 111.857 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.053 0.941 . . . . 0.0 110.955 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.8 -38.44 90.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.656 0.662 . . . . 0.0 112.105 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.0 -47.82 83.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.499 0.72 . . . . 0.0 110.882 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -68.67 -38.5 80.43 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.861 -0.524 . . . . 0.0 112.399 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.12 -46.23 88.28 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.864 0.866 . . . . 0.0 112.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -70.37 -33.26 71.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.083 0.553 . . . . 0.0 112.476 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.68 -12.27 60.16 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.373 1.069 . . . . 0.0 113.541 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.63 10.23 84.6 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.817 1.199 . . . . 0.0 115.295 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.33 86.99 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.979 1.276 . . . . 0.0 114.04 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 tp -136.93 141.45 42.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.647 1.979 . . . . 0.0 110.432 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -84.48 161.26 20.34 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.026 0.93 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -64.68 -36.95 85.94 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.022 -1.049 . . . . 0.0 111.785 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.86 65.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 113.422 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.97 -41.74 15.58 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.093 0.957 . . . . 0.0 111.446 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.8 84.02 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.468 -0.77 . . . . 0.0 111.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.01 -41.73 88.44 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.829 0.851 . . . . 0.0 112.131 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.54 71.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.335 0.654 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.83 -33.44 66.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.945 0.898 . . . . 0.0 112.402 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.08 -35.23 79.37 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.055 0.942 . . . . 0.0 112.337 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 0.32 44.13 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.665 0 C-N-CA 124.631 1.11 . . . . 0.0 115.413 176.395 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.49 -33.26 66.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.752 0.821 . . . . 0.0 112.769 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.2 -36.91 74.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.021 0.928 . . . . 0.0 111.765 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.25 -49.08 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.383 1.073 . . . . 0.0 111.387 171.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.05 -37.99 78.32 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.413 -0.804 . . . . 0.0 112.716 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.12 78.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.773 0.829 . . . . 0.0 112.38 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.22 -45.62 83.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.656 1.183 . . . . 0.0 111.053 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.9 -44.42 85.31 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.799 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 m -60.44 -33.67 72.87 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.775 -1.203 . . . . 0.0 112.576 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.98 71.95 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.598 0.635 . . . . 0.0 112.498 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.8 -31.84 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 120.7 -1.25 . . . . 0.0 112.954 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -65.38 -30.16 70.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.469 1.108 . . . . 0.0 112.552 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -93.92 10.27 34.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.869 1.667 . . . . 0.0 113.068 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.339 0.8 OUTLIER 50.45 31.44 5.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.075 2.55 . . . . 0.0 115.546 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.88 -32.43 57.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.469 1.508 . . . . 0.0 111.9 165.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -117.28 140.3 49.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 108.978 -174.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.3 m -85.77 156.88 20.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.922 0.889 . . . . 0.0 113.262 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -53.99 -50.65 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.524 1.53 . . . . 0.0 111.516 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -78.06 -25.66 47.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -67.21 -43.11 82.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.267 0.627 . . . . 0.0 110.638 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -63.07 -30.28 71.47 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.184 -0.948 . . . . 0.0 112.519 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.48 -41.26 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.289 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -23.77 62.54 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 CA--C 1.542 0.645 0 C-N-CA 124.817 1.247 . . . . 0.0 113.078 172.724 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 121.208 0.528 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.58 -36.28 64.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.816 0.847 . . . . 0.0 113.017 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -69.06 -39.72 78.96 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.932 1.242 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.97 -41.28 95.59 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.579 0.752 . . . . 0.0 110.808 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.01 -48.24 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.294 1.038 . . . . 0.0 110.695 174.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.59 -44.93 96.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.005 0.82 . . . . 0.0 111.808 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.6 m -56.55 -48.37 77.43 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.695 0.679 . . . . 0.0 111.668 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.12 -33.78 75.14 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.97 -41.81 77.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.708 0.803 . . . . 0.0 112.307 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -71.77 -33.4 68.6 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.737 -0.602 . . . . 0.0 112.456 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.75 -14.75 61.61 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.559 1.144 . . . . 0.0 113.273 172.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.88 8.18 87.75 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.103 1.335 . . . . 0.0 114.817 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.6 -14.43 82.11 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.846 1.213 . . . . 0.0 114.416 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tt -131.91 135.96 47.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.617 1.967 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.3 158.5 19.05 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 0.0 113.212 -172.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -57.0 -40.0 75.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.991 -1.068 . . . . 0.0 112.927 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.74 92.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.382 0.673 . . . . 0.0 112.15 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.15 73.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.924 0.889 . . . . 0.0 111.518 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -49.37 77.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.004 0.82 . . . . 0.0 111.099 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.37 -38.39 86.82 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.374 -0.829 . . . . 0.0 112.558 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -59.17 5.14 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.842 0.746 . . . . 0.0 111.293 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.48 -36.73 81.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.481 1.113 . . . . 0.0 112.905 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.13 -33.27 73.19 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.755 0.822 . . . . 0.0 112.56 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.46 -2.33 45.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.588 0 C-N-CA 124.331 0.967 . . . . 0.0 114.815 -178.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.64 63.8 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.94 0.896 . . . . 0.0 113.046 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -71.92 -39.86 69.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.613 0.765 . . . . 0.0 111.571 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -65.64 -50.7 64.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.102 0.961 . . . . 0.0 111.004 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.79 -38.5 82.08 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.913 0.779 . . . . 0.0 112.693 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.17 95.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.275 0.63 . . . . 0.0 111.952 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.94 -48.54 52.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.145 0.978 . . . . 0.0 111.529 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.44 -43.91 84.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.582 1.553 . . . . 0.0 112.087 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -63.57 -29.13 70.43 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.615 -0.678 . . . . 0.0 112.276 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -36.34 64.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.605 0.762 . . . . 0.0 112.156 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -78.29 -33.98 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.627 1.103 . . . . 0.0 112.749 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -68.78 -18.67 64.24 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -99.23 9.59 43.1 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.177 1.391 . . . . 0.0 112.74 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.05 20.71 9.86 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.193 1.797 . . . . 0.0 114.642 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -81.23 -27.27 35.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.118 0.967 . . . . 0.0 111.979 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.609 HD13 ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -125.28 159.75 30.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.706 2.002 . . . . 0.0 109.297 -179.397 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.609 ' H ' HD13 ' A' ' 28' ' ' LEU . 50.0 m -116.84 158.29 24.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.827 1.651 . . . . 0.0 112.083 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -51.04 -51.86 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.311 1.444 . . . . 0.0 111.234 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.39 -30.32 61.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -75.15 -25.56 58.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.311 1.044 . . . . 0.0 112.105 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 -39.04 51.91 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.266 -0.896 . . . . 0.0 111.786 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.98 -41.4 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.953 0.901 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -67.29 -26.47 66.56 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 124.471 1.108 . . . . 0.0 112.52 175.689 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.82 79.97 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 112.435 -173.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.029 . . . . 0.0 110.899 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.19 -40.29 95.58 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.054 0.941 . . . . 0.0 111.856 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.73 -49.4 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.83 0.852 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.02 -37.93 89.14 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.02 -0.514 . . . . 0.0 111.662 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.6 m -62.81 -45.48 92.43 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.11 0.868 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -66.78 -43.99 82.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.742 0.701 . . . . 0.0 112.27 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.41 -44.9 95.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.272 1.029 . . . . 0.0 111.826 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.0 -33.42 72.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.29 -11.19 59.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.771 1.228 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.47 10.86 83.95 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.614 1.102 . . . . 0.0 114.302 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.83 2.53 87.35 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.221 1.867 . . . . 0.0 114.704 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 tp -147.42 138.47 23.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.824 2.049 . . . . 0.0 110.057 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.97 163.06 27.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.487 -0.758 . . . . 0.0 111.515 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -62.17 -41.25 98.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.266 -0.896 . . . . 0.0 111.958 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -37.62 88.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.059 0.544 . . . . 0.0 111.88 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -40.52 63.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.312 0.645 . . . . 0.0 112.016 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.24 81.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.625 0.77 . . . . 0.0 111.481 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.02 -42.6 94.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.888 0.475 . . . . 0.0 111.572 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.99 50.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.622 0.769 . . . . 0.0 112.515 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -35.31 80.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 112.273 -177.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.4 -35.0 75.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.054 0.843 . . . . 0.0 112.574 172.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.98 -1.68 48.98 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.097 1.359 . . . . 0.0 114.222 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.731 0 C-N-CA 124.901 1.238 . . . . 0.0 115.395 178.162 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 -31.46 44.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 113.243 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.83 -40.22 87.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.241 0.543 . . . . 0.0 111.461 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 mt -65.84 -48.3 72.08 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.942 0.897 . . . . 0.0 111.226 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.94 -38.71 76.46 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.106 0.866 . . . . 0.0 112.94 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.54 75.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.913 0.885 . . . . 0.0 111.874 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.16 -34.96 75.79 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.218 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.9 -41.65 70.99 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.834 1.654 . . . . 0.0 112.323 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.21 -34.28 74.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.404 1.002 . . . . 0.0 112.612 169.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.13 68.75 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.65 -0.656 . . . . 0.0 111.96 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -81.66 -32.59 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 120.849 -1.157 . . . . 0.0 112.036 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -66.65 -32.19 73.36 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 112.386 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.55 9.78 22.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.815 1.246 . . . . 0.0 113.414 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 t30 59.7 27.1 16.29 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.656 1.982 . . . . 0.0 114.926 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -87.36 -32.14 19.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.005 1.322 . . . . 0.0 112.353 172.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 138.64 47.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.408 1.483 . . . . 0.0 110.088 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -87.29 154.94 20.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.219 1.008 . . . . 0.0 112.625 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -54.89 -49.1 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.695 1.198 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.59 -26.27 57.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.284 -0.885 . . . . 0.0 113.279 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -70.8 -39.61 73.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.662 -0.648 . . . . 0.0 110.151 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.84 69.56 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.853 -1.155 . . . . 0.0 112.727 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.13 -43.61 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.449 0.7 . . . . 0.0 111.118 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 -26.94 64.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.797 1.18 . . . . 0.0 113.053 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 124.704 1.202 . . . . 0.0 113.261 172.013 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.43 -34.23 61.02 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.007 -1.058 . . . . 0.0 113.013 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.54 -51.57 68.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.962 0.905 . . . . 0.0 110.78 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.15 -39.85 94.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.766 0.826 . . . . 0.0 111.613 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.7 -43.69 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.016 0.926 . . . . 0.0 111.275 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.43 -42.39 98.67 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.683 0.793 . . . . 0.0 112.199 171.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.4 m -64.76 -44.55 89.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.615 0.766 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.987 1.315 . . . . 0.0 111.885 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.73 -44.49 85.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.659 0.784 . . . . 0.0 112.526 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.98 -32.96 71.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.805 0.73 . . . . 0.0 112.586 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.34 -14.38 61.28 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.89 1.276 . . . . 0.0 113.486 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.26 12.69 81.89 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.017 1.294 . . . . 0.0 114.451 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.8 89.09 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 124.707 1.146 . . . . 0.0 114.557 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.27 136.41 39.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.887 1.675 . . . . 0.0 110.687 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.71 155.72 33.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.579 0.752 . . . . 0.0 111.897 172.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -60.62 -40.05 90.44 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.299 -0.876 . . . . 0.0 112.598 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.3 88.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.599 0.76 . . . . 0.0 112.414 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.85 -38.85 66.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 111.982 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.56 84.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.8 -43.74 94.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.555 0.742 . . . . 0.0 112.279 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -52.09 66.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.91 0.884 . . . . 0.0 112.29 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mp -70.93 -35.58 72.3 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.97 1.308 . . . . 0.0 112.396 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.58 -34.5 77.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.245 0.93 . . . . 0.0 112.563 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.44 -0.3 25.43 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 170.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.548 0 C-N-CA 125.419 1.485 . . . . 0.0 115.561 178.595 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.43 30.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.913 0.885 . . . . 0.0 113.108 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.99 -35.87 81.76 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.884 0.874 . . . . 0.0 112.074 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.89 -49.8 66.75 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.431 1.092 . . . . 0.0 111.358 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.7 -37.96 74.41 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.77 87.94 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.583 0.753 . . . . 0.0 112.335 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.94 -38.23 37.7 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.586 1.154 . . . . 0.0 111.93 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.81 -36.7 84.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.635 1.174 . . . . 0.0 112.238 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -60.91 -33.71 73.56 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 112.811 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 -32.98 63.87 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.663 -0.648 . . . . 0.0 112.118 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -83.08 -31.83 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.228 -0.92 . . . . 0.0 111.818 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.26 -32.76 72.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.456 1.102 . . . . 0.0 112.482 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -97.8 15.9 22.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.542 1.537 . . . . 0.0 113.156 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 54.99 26.04 7.57 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.529 2.332 . . . . 0.0 116.195 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -83.57 -25.88 30.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.934 1.294 . . . . 0.0 112.654 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -122.38 135.64 54.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.948 1.699 . . . . 0.0 109.272 -175.769 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 m -83.91 157.15 22.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.124 0.97 . . . . 0.0 112.961 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.99 -49.43 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.24 -31.7 67.86 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.184 -0.947 . . . . 0.0 112.568 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -66.71 -44.18 82.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.037 0.935 . . . . 0.0 110.508 173.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -64.0 -27.6 69.23 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.383 -0.823 . . . . 0.0 112.724 177.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.43 -38.72 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.96 0.904 . . . . 0.0 111.467 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -28.76 60.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.125 -0.984 . . . . 0.0 113.438 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 124.639 1.176 . . . . 0.0 113.712 175.265 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 N--CA 1.472 0.675 0 CA-C-O 120.957 0.408 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.44 -30.9 70.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 112.99 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -62.43 -52.62 62.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.197 0.908 . . . . 0.0 110.459 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.63 -41.2 97.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.471 0.709 . . . . 0.0 111.456 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.18 -47.68 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.278 1.031 . . . . 0.0 111.191 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.62 -39.36 94.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.658 0.663 . . . . 0.0 111.69 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.2 m -62.45 -45.16 94.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.307 0.643 . . . . 0.0 111.101 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.47 -41.39 84.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.703 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.51 -44.61 95.83 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.874 0.761 . . . . 0.0 111.48 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.98 -37.12 75.65 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.907 -0.495 . . . . 0.0 112.127 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.88 -17.94 62.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.62 75.38 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.859 1.218 . . . . 0.0 114.349 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.1 1.85 83.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.157 1.837 . . . . 0.0 114.892 173.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -142.96 139.58 30.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.093 1.757 . . . . 0.0 110.653 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.0 154.02 39.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.575 0.75 . . . . 0.0 112.26 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -60.09 -41.31 92.23 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 112.254 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.32 99.06 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.39 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.12 82.53 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.767 -0.583 . . . . 0.0 111.643 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.13 78.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.324 -0.86 . . . . 0.0 111.423 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.26 -39.53 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.25 -0.906 . . . . 0.0 112.579 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.26 -55.08 27.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.574 0.749 . . . . 0.0 112.315 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.9 -31.18 68.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.812 1.245 . . . . 0.0 112.883 -174.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -34.41 73.26 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.113 0.87 . . . . 0.0 112.818 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.9 59.95 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 168.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.289 0 C-N-CA 125.036 1.303 . . . . 0.0 114.945 -177.794 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.31 39.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.795 0.838 . . . . 0.0 112.293 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -70.26 -34.59 72.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.891 0.476 . . . . 0.0 112.106 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.88 -47.58 71.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 123.607 0.763 . . . . 0.0 111.33 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.04 -39.84 79.43 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.572 1.078 . . . . 0.0 112.664 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.03 79.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.646 0.779 . . . . 0.0 112.457 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.89 -47.67 83.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.177 1.391 . . . . 0.0 111.299 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.55 -44.18 83.09 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.816 1.646 . . . . 0.0 111.6 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -57.39 -34.87 69.32 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.127 -0.983 . . . . 0.0 112.028 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.47 -33.94 60.87 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.03 -31.34 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.959 1.254 . . . . 0.0 112.466 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -62.91 -28.84 70.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.349 1.06 . . . . 0.0 112.263 169.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -96.33 11.33 35.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.528 1.931 . . . . 0.0 113.596 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 55.16 25.75 7.56 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.959 2.504 . . . . 0.0 116.125 177.786 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -94.22 -14.87 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.602 1.561 . . . . 0.0 114.127 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 141.75 51.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.008 1.723 . . . . 0.0 108.719 172.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -89.94 156.38 18.48 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.73 0.812 . . . . 0.0 112.931 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.45 -52.24 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.419 1.488 . . . . 0.0 111.71 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -79.12 -21.81 46.07 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.628 -0.67 . . . . 0.0 112.415 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -72.68 -40.67 66.09 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.244 -0.91 . . . . 0.0 110.893 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.14 69.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.231 -0.918 . . . . 0.0 112.335 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.27 -45.77 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.871 170.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -27.95 68.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.224 1.374 . . . . 0.0 113.62 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 124.479 1.112 . . . . 0.0 113.524 173.484 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 CA--C 1.539 0.542 0 CA-C-O 120.746 0.308 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.79 64.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.795 0.838 . . . . 0.0 112.642 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.77 -41.41 95.89 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.77 -35.35 67.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.747 0.703 . . . . 0.0 111.492 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.5 -45.65 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.999 0.919 . . . . 0.0 110.452 170.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -44.51 96.51 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 112.047 173.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -59.53 -47.14 86.7 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.835 0.743 . . . . 0.0 111.667 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -61.74 -36.51 81.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.816 1.246 . . . . 0.0 112.388 175.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -74.26 -40.23 62.48 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.341 1.056 . . . . 0.0 113.665 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -73.67 -32.67 64.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.403 -0.811 . . . . 0.0 112.309 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.38 -16.44 64.24 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.472 1.109 . . . . 0.0 113.072 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.52 5.88 88.03 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.596 1.094 . . . . 0.0 114.788 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.7 74.63 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 118.594 1.197 . . . . 0.0 113.721 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 tp -105.34 142.38 35.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.97 1.708 . . . . 0.0 110.99 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -85.56 158.76 20.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.05 0.94 . . . . 0.0 111.1 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttp-105 -66.46 -32.01 73.1 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.187 -0.945 . . . . 0.0 112.64 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.66 90.45 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.559 0.744 . . . . 0.0 112.108 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.45 86.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.872 0.869 . . . . 0.0 111.9 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.0 93.82 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.938 0.79 . . . . 0.0 111.869 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -61.89 -41.42 97.86 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.566 -0.709 . . . . 0.0 112.352 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.25 77.11 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.633 0.651 . . . . 0.0 111.021 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.08 -37.56 66.73 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.312 1.445 . . . . 0.0 112.671 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.13 -33.51 74.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.71 -2.62 33.85 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 C-N-CA 125.212 1.386 . . . . 0.0 115.778 177.6 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.98 51.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.182 0.993 . . . . 0.0 113.21 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -76.53 -31.43 57.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.83 -48.71 75.72 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.28 0.632 . . . . 0.0 111.044 170.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.95 -38.62 76.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.244 0.929 . . . . 0.0 112.364 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.43 70.0 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.634 0.774 . . . . 0.0 112.165 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD21 ' HB1' ' A' ' 33' ' ' ALA . 8.8 tt -62.14 -41.69 98.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.419 1.487 . . . . 0.0 112.14 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.68 -44.17 71.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.385 1.874 . . . . 0.0 111.819 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -59.55 -34.99 73.36 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.163 -0.96 . . . . 0.0 112.201 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.47 -33.8 65.03 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.573 -0.705 . . . . 0.0 112.759 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.31 -31.6 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.759 -1.213 . . . . 0.0 112.519 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -65.71 -27.32 68.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.933 0.893 . . . . 0.0 113.119 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -96.85 11.96 33.89 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.959 1.304 . . . . 0.0 113.239 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 t30 59.47 27.11 16.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.728 2.011 . . . . 0.0 115.424 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -90.73 -22.51 21.05 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.261 1.425 . . . . 0.0 113.273 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -123.32 139.93 53.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.604 1.962 . . . . 0.0 109.277 -178.153 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.3 m -89.28 158.48 17.82 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.193 0.997 . . . . 0.0 113.448 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.6 mm -56.99 -50.04 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.223 -0.923 . . . . 0.0 111.08 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.91 -35.72 82.07 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.419 -0.801 . . . . 0.0 112.446 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -67.6 -44.95 76.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.846 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -63.68 -24.89 67.97 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.144 -0.972 . . . . 0.0 112.806 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -78.44 -43.07 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.152 0.981 . . . . 0.0 111.487 171.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -30.02 66.28 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.954 -1.092 . . . . 0.0 112.79 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.435 1.094 . . . . 0.0 113.391 174.855 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.478 0.18 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.93 -32.95 71.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -62.73 -50.95 69.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.391 1.076 . . . . 0.0 111.04 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.08 -42.76 99.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.694 1.197 . . . . 0.0 111.459 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.26 -47.29 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.374 1.07 . . . . 0.0 110.851 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.91 -39.42 94.49 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.45 0.7 . . . . 0.0 112.132 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -63.31 -46.83 84.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.772 0.829 . . . . 0.0 110.837 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -65.59 -39.73 91.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.213 0.605 . . . . 0.0 112.143 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.09 -47.64 82.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.253 0.621 . . . . 0.0 111.813 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.29 -34.75 78.06 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -77.77 -3.05 39.38 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 9.86 86.19 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.691 1.139 . . . . 0.0 115.644 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.02 -9.36 86.76 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.185 1.374 . . . . 0.0 114.188 174.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.5 tp -131.98 138.47 48.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.308 1.843 . . . . 0.0 110.392 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.22 154.01 31.43 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 0.0 112.058 174.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -63.7 -36.02 82.46 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.223 -0.923 . . . . 0.0 112.466 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.51 97.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.115 0.966 . . . . 0.0 112.61 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.1 -38.94 72.37 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.533 0.733 . . . . 0.0 111.506 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.6 84.98 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.583 -0.698 . . . . 0.0 111.434 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.06 -43.67 91.76 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.835 0.743 . . . . 0.0 111.51 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.6 -54.36 46.29 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.465 0.706 . . . . 0.0 112.202 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -67.96 -34.54 76.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.052 1.341 . . . . 0.0 112.387 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.0 -33.79 70.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.766 0.826 . . . . 0.0 112.613 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.03 22.34 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 169.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.589 0 C-N-CA 124.646 1.117 . . . . 0.0 115.215 175.717 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -33.66 57.52 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.827 0.739 . . . . 0.0 112.663 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.51 -34.93 67.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.996 0.919 . . . . 0.0 112.07 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.32 -47.89 63.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.9 0.88 . . . . 0.0 111.254 170.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.72 -39.73 71.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.716 0.806 . . . . 0.0 112.387 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 -30.23 66.77 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.69 -48.52 38.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 109.919 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -67.58 -39.99 84.87 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.425 1.49 . . . . 0.0 111.727 -174.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 p -61.85 -30.59 70.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.791 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.83 55.02 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.704 0.801 . . . . 0.0 111.74 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.51 -33.16 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.175 -0.953 . . . . 0.0 112.188 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -69.67 -19.59 63.59 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -108.32 18.79 20.64 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.185 1.794 . . . . 0.0 112.858 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 60.58 21.98 11.77 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.37 1.868 . . . . 0.0 115.255 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -85.23 -25.91 27.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.482 1.113 . . . . 0.0 112.524 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -130.46 151.29 51.1 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.418 1.887 . . . . 0.0 108.584 -177.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.428 ' H ' HD13 ' A' ' 28' ' ' LEU . 3.9 m -93.52 156.9 16.48 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.608 1.163 . . . . 0.0 112.936 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.6 -53.86 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.664 1.186 . . . . 0.0 110.477 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.39 -27.88 65.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -74.45 -42.31 59.31 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.781 0.832 . . . . 0.0 111.088 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -25.87 68.1 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 120.907 -1.121 . . . . 0.0 112.031 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.67 -43.01 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.326 1.05 . . . . 0.0 111.231 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -28.9 64.35 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.327 0.967 . . . . 0.0 113.348 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 124.108 0.963 . . . . 0.0 113.226 173.051 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.9 72.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.923 0.889 . . . . 0.0 113.19 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -60.94 -51.82 67.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 0.0 111.2 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.68 -41.45 90.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.294 1.038 . . . . 0.0 111.734 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.0 mt -62.54 -49.75 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.374 1.07 . . . . 0.0 111.339 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.5 -38.16 90.08 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.43 -0.794 . . . . 0.0 112.262 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.8 m -62.29 -45.38 93.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.558 0.617 . . . . 0.0 111.366 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -69.18 -40.23 78.25 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.493 0.588 . . . . 0.0 112.343 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.78 -46.36 89.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.941 0.896 . . . . 0.0 111.752 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.61 -35.43 72.97 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.17 -13.34 61.52 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.444 1.098 . . . . 0.0 113.516 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.08 11.76 83.28 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.686 1.136 . . . . 0.0 114.782 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.53 -9.74 86.78 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.176 1.369 . . . . 0.0 113.674 171.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -137.67 138.12 39.09 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.544 1.938 . . . . 0.0 110.143 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.56 156.67 29.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.837 0.855 . . . . 0.0 112.138 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -63.53 -35.82 81.73 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.957 -1.09 . . . . 0.0 112.739 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.65 94.64 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.809 0.844 . . . . 0.0 112.788 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.12 71.07 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.558 -0.714 . . . . 0.0 111.514 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.09 96.17 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.652 -0.655 . . . . 0.0 111.5 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.04 -43.33 95.44 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.37 59.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.537 0.608 . . . . 0.0 111.849 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -38.11 88.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.548 1.139 . . . . 0.0 112.105 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.56 -34.48 75.9 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.202 -0.936 . . . . 0.0 112.824 174.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.64 1.82 28.33 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 O-C-N 120.844 -1.16 . . . . 0.0 113.892 -179.518 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.22 56.18 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.592 0.757 . . . . 0.0 112.617 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -35.67 69.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.676 0.79 . . . . 0.0 111.529 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.64 -46.88 77.54 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.283 1.033 . . . . 0.0 111.059 169.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.61 -37.02 80.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.019 0.827 . . . . 0.0 113.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.29 87.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.55 -48.05 73.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.275 1.03 . . . . 0.0 110.958 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.9 mt -66.75 -40.03 88.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.086 1.354 . . . . 0.0 111.976 -173.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.86 -32.04 72.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.135 0.879 . . . . 0.0 113.243 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.85 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.836 0.744 . . . . 0.0 111.955 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.16 -34.22 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 121.091 -1.005 . . . . 0.0 112.143 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 tpt85 -69.96 -27.61 64.87 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.19 12.5 22.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.273 1.429 . . . . 0.0 113.208 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.24 25.22 14.62 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.919 2.087 . . . . 0.0 115.101 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -83.18 -26.34 30.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.822 1.249 . . . . 0.0 112.419 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.15 148.0 49.5 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.694 1.998 . . . . 0.0 108.497 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -91.46 165.16 13.53 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.282 -1.511 . . . . 0.0 113.452 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.87 -47.03 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.024 0.93 . . . . 0.0 110.093 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.07 -33.06 61.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.515 -0.74 . . . . 0.0 111.795 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.65 -40.22 66.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.538 0.735 . . . . 0.0 111.722 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.5 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.211 -1.556 . . . . 0.0 112.26 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.96 -44.96 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.385 1.074 . . . . 0.0 110.688 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -70.46 -28.78 65.28 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.484 1.038 . . . . 0.0 113.738 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 CA--C 1.543 0.68 0 C-N-CA 124.481 1.112 . . . . 0.0 113.31 175.002 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.19 64.43 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -59.6 -52.86 63.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.127 0.971 . . . . 0.0 111.213 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -58.65 -41.82 86.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.54 1.136 . . . . 0.0 111.715 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.94 -51.52 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.394 1.078 . . . . 0.0 111.163 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.36 -37.16 86.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.552 -0.718 . . . . 0.0 112.357 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.4 m -61.83 -47.54 84.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.616 0.767 . . . . 0.0 111.028 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -67.55 -40.32 84.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -62.89 -46.59 87.09 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.663 0.785 . . . . 0.0 112.589 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.38 -33.82 73.62 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.12 -11.95 60.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.454 1.101 . . . . 0.0 113.64 173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.73 9.14 85.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.056 1.313 . . . . 0.0 115.116 -177.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.48 -8.28 87.66 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.337 1.446 . . . . 0.0 114.209 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 tp -135.21 140.78 45.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.357 1.863 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.04 162.57 16.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -54.16 -47.42 71.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.811 1.244 . . . . 0.0 112.775 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.99 93.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.888 0.875 . . . . 0.0 112.248 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.29 65.86 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 0.0 111.512 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.28 82.07 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.974 -1.079 . . . . 0.0 112.119 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.77 -41.93 95.5 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.776 -0.578 . . . . 0.0 112.171 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.13 -50.01 62.83 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.711 0.687 . . . . 0.0 111.559 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.13 -38.02 87.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.825 0.85 . . . . 0.0 112.635 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.71 -33.2 72.17 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -2.21 39.1 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.574 0 C-N-CA 124.867 1.222 . . . . 0.0 115.363 -179.339 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.95 -40.8 30.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.607 0.763 . . . . 0.0 112.034 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -69.09 -31.66 70.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.647 0.779 . . . . 0.0 112.91 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -70.5 -48.48 55.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 110.822 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.73 -38.49 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.507 1.048 . . . . 0.0 112.501 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.87 97.22 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.277 1.031 . . . . 0.0 112.375 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.13 -50.59 53.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 111.08 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.0 mt -65.36 -36.34 83.69 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 111.58 -172.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -61.92 -32.31 72.7 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.772 0.714 . . . . 0.0 112.92 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.65 62.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.437 -0.789 . . . . 0.0 112.507 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -81.59 -32.95 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.252 -0.905 . . . . 0.0 112.002 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -63.24 -35.66 81.08 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.218 1.007 . . . . 0.0 112.863 170.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -86.09 12.85 8.71 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.573 1.149 . . . . 0.0 113.261 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.9 t30 55.96 28.81 13.22 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.138 2.175 . . . . 0.0 114.923 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -97.92 -18.17 18.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.782 1.633 . . . . 0.0 113.245 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.52 142.55 51.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 109.603 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 m -92.16 157.38 16.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.218 1.407 . . . . 0.0 112.832 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.3 mm -53.97 -53.31 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.005 1.322 . . . . 0.0 110.413 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.11 -30.88 69.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.255 0.622 . . . . 0.0 112.203 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -73.56 -35.98 65.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.247 1.019 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.46 74.11 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.842 -1.161 . . . . 0.0 111.679 173.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.12 -43.5 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.972 0.909 . . . . 0.0 110.518 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -69.71 -25.24 63.77 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.282 0.947 . . . . 0.0 113.335 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 124.136 0.975 . . . . 0.0 113.114 173.151 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.155 0.502 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.77 65.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.921 0.888 . . . . 0.0 112.633 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -59.63 -55.0 39.9 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.837 0.855 . . . . 0.0 110.594 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -58.19 -41.02 83.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.78 0.832 . . . . 0.0 111.997 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.6 mt -63.27 -48.32 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.501 1.12 . . . . 0.0 111.259 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.65 -39.3 93.44 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.373 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -61.34 -45.36 94.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.374 0.988 . . . . 0.0 111.412 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.83 -39.72 87.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.198 0.908 . . . . 0.0 112.245 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.74 -45.7 91.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.627 0.771 . . . . 0.0 112.259 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -71.53 -34.41 70.03 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.693 -0.629 . . . . 0.0 112.668 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.04 -15.42 63.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.264 1.026 . . . . 0.0 113.511 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.29 83.16 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.039 1.305 . . . . 0.0 114.537 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.56 -7.2 88.67 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.842 1.211 . . . . 0.0 114.415 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.73 140.33 46.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.993 2.117 . . . . 0.0 110.376 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.12 155.76 27.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.136 0.975 . . . . 0.0 112.105 175.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -64.71 -34.39 78.2 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.047 -1.033 . . . . 0.0 112.746 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.18 93.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.821 0.848 . . . . 0.0 112.576 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.62 70.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 112.065 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.41 90.44 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.615 -0.678 . . . . 0.0 111.28 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.17 -45.33 87.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.282 -0.886 . . . . 0.0 111.937 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.74 67.93 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.062 0.945 . . . . 0.0 112.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.2 -33.56 74.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.729 1.212 . . . . 0.0 112.705 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.26 -34.89 68.56 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.734 0.814 . . . . 0.0 112.461 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.36 63.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.962 0.905 . . . . 0.0 112.897 173.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.652 0 N-CA-C 116.978 1.551 . . . . 0.0 116.978 163.286 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -26.45 61.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.001 0.921 . . . . 0.0 112.929 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -83.05 -41.7 18.33 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.658 1.183 . . . . 0.0 111.769 172.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.18 -50.03 73.45 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.507 1.123 . . . . 0.0 111.316 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.91 -36.42 76.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.752 0.706 . . . . 0.0 112.827 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.34 65.43 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.911 0.884 . . . . 0.0 112.401 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.41 HD21 ' HB1' ' A' ' 33' ' ' ALA . 10.1 tt -66.06 -40.05 90.61 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.348 1.459 . . . . 0.0 112.053 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.63 -39.67 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.924 1.69 . . . . 0.0 112.21 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.7 m -62.59 -33.16 74.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.306 0.957 . . . . 0.0 112.836 174.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.94 -33.59 72.32 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.478 0.581 . . . . 0.0 112.004 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.88 -32.16 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.159 -0.963 . . . . 0.0 112.351 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -62.52 -32.94 73.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.024 0.93 . . . . 0.0 112.678 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -90.26 10.24 25.51 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.65 1.58 . . . . 0.0 113.942 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t30 62.45 24.57 14.63 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.307 1.843 . . . . 0.0 114.692 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -95.29 -23.87 17.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.223 1.409 . . . . 0.0 113.059 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.4 137.39 54.34 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.299 1.84 . . . . 0.0 108.638 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -87.59 158.65 18.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.274 1.03 . . . . 0.0 113.493 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.38 -52.35 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.497 1.119 . . . . 0.0 110.457 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.55 -34.08 71.85 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.0 -1.063 . . . . 0.0 112.24 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.07 -28.8 67.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.542 1.137 . . . . 0.0 112.226 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' A' ' 19' ' ' LEU . . . -76.77 -44.38 33.2 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.392 -0.817 . . . . 0.0 111.334 170.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.97 -37.69 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.582 1.153 . . . . 0.0 111.269 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -66.35 -23.29 66.32 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.258 1.423 . . . . 0.0 113.109 172.336 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.08 64.57 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 118.997 0.817 . . . . 0.0 112.661 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.99 -54.57 43.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.908 0.883 . . . . 0.0 110.892 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.86 -38.65 91.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.838 0.855 . . . . 0.0 112.023 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.23 -47.23 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 110.953 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.6 mm? -65.86 -37.71 86.9 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.83 -0.544 . . . . 0.0 112.408 174.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.8 m -64.88 -43.86 91.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.885 0.766 . . . . 0.0 111.213 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -67.59 -41.28 84.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.254 1.022 . . . . 0.0 112.095 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.13 -44.83 95.77 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.274 1.03 . . . . 0.0 111.743 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -69.86 -35.29 74.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.394 0.678 . . . . 0.0 112.366 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.35 -14.97 62.36 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.986 1.314 . . . . 0.0 113.523 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.58 7.84 85.59 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.62 1.105 . . . . 0.0 114.526 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.48 -7.31 88.58 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.249 1.404 . . . . 0.0 114.673 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.0 tp -132.35 139.45 48.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.268 1.827 . . . . 0.0 110.562 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -79.2 159.97 27.13 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.546 0.738 . . . . 0.0 112.005 175.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.61 -39.61 91.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.314 1.045 . . . . 0.0 111.751 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.94 96.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.082 0.553 . . . . 0.0 112.111 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.91 77.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.242 0.617 . . . . 0.0 111.881 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.34 82.14 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.736 0.698 . . . . 0.0 111.42 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.651 0.781 . . . . 0.0 112.676 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.17 49.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.747 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.99 -32.75 71.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.648 1.179 . . . . 0.0 112.439 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.22 70.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.034 0.834 . . . . 0.0 112.698 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.87 -4.27 39.89 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 171.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.517 0 C-N-CA 124.818 1.199 . . . . 0.0 116.057 174.56 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.69 63.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.807 0.843 . . . . 0.0 112.657 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.17 -39.16 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.118 0.967 . . . . 0.0 112.464 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.38 -49.01 68.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.446 1.098 . . . . 0.0 111.572 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.53 -37.57 81.59 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.194 -0.941 . . . . 0.0 112.764 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.48 85.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.889 0.875 . . . . 0.0 112.388 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.99 -48.8 70.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.354 1.061 . . . . 0.0 111.349 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.02 -41.62 97.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.349 1.459 . . . . 0.0 111.775 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m -60.55 -33.76 73.15 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.276 -0.89 . . . . 0.0 112.936 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.54 63.98 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.674 0.67 . . . . 0.0 112.276 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.4 -33.22 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.64 1.109 . . . . 0.0 112.774 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -65.3 -29.55 70.32 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.15 0.98 . . . . 0.0 112.392 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -90.45 8.32 34.36 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.62 1.968 . . . . 0.0 113.144 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.72 26.93 15.23 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.54 1.936 . . . . 0.0 115.159 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -93.44 -21.75 19.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.658 1.583 . . . . 0.0 113.065 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -123.13 137.86 54.8 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.373 1.869 . . . . 0.0 109.057 -178.398 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -85.89 156.31 20.57 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.782 0.833 . . . . 0.0 112.863 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.5 mm -52.43 -53.98 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.26 1.424 . . . . 0.0 111.487 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.05 -24.95 59.6 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -69.08 -43.0 75.45 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.313 -0.867 . . . . 0.0 110.419 169.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.61 -25.41 67.38 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.873 -1.142 . . . . 0.0 112.885 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.8 t -74.21 -46.69 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.109 0.868 . . . . 0.0 110.724 170.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -29.25 68.07 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.765 1.166 . . . . 0.0 113.198 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 124.37 1.068 . . . . 0.0 113.129 173.505 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.32 -34.98 67.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -63.33 -49.92 72.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.787 1.176 . . . . 0.0 111.408 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -61.03 -41.99 97.61 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.71 1.204 . . . . 0.0 111.652 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.42 -48.19 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.272 1.029 . . . . 0.0 110.919 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.3 mm? -62.59 -39.33 93.39 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.234 0.47 . . . . 0.0 112.061 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.2 m -62.02 -45.94 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.403 0.681 . . . . 0.0 110.718 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -67.72 -37.57 82.41 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.35 0.66 . . . . 0.0 112.595 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -66.47 -41.34 89.18 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.753 0.821 . . . . 0.0 112.654 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -73.42 -33.43 64.94 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.462 -0.774 . . . . 0.0 112.401 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.88 -12.44 61.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.549 1.14 . . . . 0.0 113.496 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 7.1 88.52 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.906 1.241 . . . . 0.0 114.625 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.26 -13.74 83.29 Favored Glycine 0 CA--C 1.545 1.917 0 C-N-CA 125.126 1.346 . . . . 0.0 114.006 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -122.51 136.17 54.82 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.877 1.671 . . . . 0.0 110.617 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.86 156.1 30.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.216 1.006 . . . . 0.0 112.219 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -58.85 -39.33 80.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.431 0.692 . . . . 0.0 112.722 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.22 98.42 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.323 0.649 . . . . 0.0 112.009 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.08 -39.83 68.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.663 0.785 . . . . 0.0 111.808 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.04 91.14 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.534 -0.729 . . . . 0.0 111.899 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.6 -45.63 92.03 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.671 -0.643 . . . . 0.0 111.948 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.48 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.843 0.857 . . . . 0.0 111.99 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.46 -31.86 70.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.638 1.175 . . . . 0.0 112.284 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.38 -34.56 68.03 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.085 0.857 . . . . 0.0 112.955 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.41 -1.76 46.88 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 O-C-N 121.027 -1.046 . . . . 0.0 114.49 -178.776 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.2 64.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -74.61 -35.43 62.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.824 0.85 . . . . 0.0 112.154 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.18 -48.69 64.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.314 1.046 . . . . 0.0 111.138 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.92 -39.48 74.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 112.986 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.08 86.01 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.51 -43.65 59.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.233 1.413 . . . . 0.0 110.98 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.72 -38.56 89.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 112.606 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -62.54 -30.41 71.28 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.087 0.858 . . . . 0.0 113.011 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.6 69.09 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.097 0.862 . . . . 0.0 111.664 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.61 -35.5 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.92 -1.113 . . . . 0.0 112.244 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -70.08 -24.7 63.27 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.11 14.16 24.82 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.477 1.511 . . . . 0.0 113.215 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.88 27.05 15.65 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.73 2.012 . . . . 0.0 114.705 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -83.59 -27.71 29.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.75 1.22 . . . . 0.0 112.334 170.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 143.09 51.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.815 1.646 . . . . 0.0 109.312 -172.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -81.6 155.61 25.58 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.14 -0.975 . . . . 0.0 112.474 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.76 -46.67 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.076 1.35 . . . . 0.0 110.696 168.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.66 -35.5 52.34 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.147 -0.971 . . . . 0.0 112.233 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.52 -26.62 62.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.082 0.953 . . . . 0.0 112.197 175.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.46 -40.66 64.0 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.005 -1.059 . . . . 0.0 111.768 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.21 -40.94 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 110.759 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -68.8 -24.28 64.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.69 1.196 . . . . 0.0 112.524 173.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.23 75.85 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.29 -0.881 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -56.99 -52.7 64.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.712 1.205 . . . . 0.0 111.415 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.94 -43.02 95.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.604 1.162 . . . . 0.0 111.536 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.09 -47.55 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.832 0.853 . . . . 0.0 111.343 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.85 -38.32 90.35 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.65 -0.657 . . . . 0.0 111.545 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -61.48 -45.9 92.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 0.0 110.887 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -68.23 -41.91 80.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.019 0.927 . . . . 0.0 112.537 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.23 -45.98 90.89 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.561 1.144 . . . . 0.0 112.098 177.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -70.44 -34.38 72.39 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.81 -13.13 61.24 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.158 0.983 . . . . 0.0 113.312 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.27 82.2 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.809 1.195 . . . . 0.0 114.617 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.53 -8.27 87.71 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.095 1.331 . . . . 0.0 114.135 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -138.05 141.27 40.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.234 1.813 . . . . 0.0 110.788 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.44 154.53 23.91 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.254 1.022 . . . . 0.0 111.604 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.55 -39.7 84.86 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.292 0.637 . . . . 0.0 112.521 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.6 94.67 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 0.0 112.296 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.13 67.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.634 0.774 . . . . 0.0 111.595 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.431 0.693 . . . . 0.0 111.396 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.61 -42.39 88.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.043 0.937 . . . . 0.0 112.688 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.11 79.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.727 0.811 . . . . 0.0 113.059 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -32.82 18.34 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.184 1.394 . . . . 0.0 112.34 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.12 -35.51 79.89 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.011 1.325 . . . . 0.0 112.233 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -15.56 57.57 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 C-N-CA 125.034 1.302 . . . . 0.0 115.927 -179.346 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.242 -0.409 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.25 28.48 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.777 0.717 . . . . 0.0 112.391 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.52 -42.21 95.99 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.678 0.791 . . . . 0.0 111.607 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -71.64 -47.62 53.24 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.869 1.267 . . . . 0.0 112.082 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.0 -38.41 82.53 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.56 1.073 . . . . 0.0 112.615 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.81 93.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.699 0.799 . . . . 0.0 112.461 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.12 -49.1 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.289 1.035 . . . . 0.0 111.1 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.18 -39.91 86.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.158 1.383 . . . . 0.0 111.87 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -62.8 -30.03 71.16 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.256 -0.903 . . . . 0.0 112.605 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.55 -35.54 63.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.197 0.599 . . . . 0.0 112.546 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 p -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.247 -0.908 . . . . 0.0 112.166 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.05 -33.73 76.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 112.484 173.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.8 15.29 13.22 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.379 1.472 . . . . 0.0 113.267 174.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.9 t30 60.62 20.77 10.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.143 1.777 . . . . 0.0 115.431 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -84.73 -28.1 26.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.696 1.198 . . . . 0.0 112.569 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.01 141.87 51.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.87 1.668 . . . . 0.0 109.147 -173.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 m -89.83 159.25 17.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.666 1.186 . . . . 0.0 112.475 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.5 mm -53.37 -53.26 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.748 1.219 . . . . 0.0 110.875 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.0 -30.11 67.34 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.744 -0.598 . . . . 0.0 112.157 -175.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -74.16 -37.56 63.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.551 0.74 . . . . 0.0 111.211 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.7 74.36 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.66 -1.275 . . . . 0.0 111.981 174.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.9 t -71.48 -40.79 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.709 0.804 . . . . 0.0 110.917 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -26.02 62.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.094 0.861 . . . . 0.0 113.269 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.697 1.199 . . . . 0.0 113.694 175.604 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 121.604 0.716 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.9 85.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.243 1.017 . . . . 0.0 112.645 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.86 -51.95 67.51 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.956 0.902 . . . . 0.0 111.1 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.62 -41.67 95.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 111.599 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.91 -48.57 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.073 0.949 . . . . 0.0 111.244 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.84 -37.32 86.35 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.598 -0.689 . . . . 0.0 111.697 175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.3 m -63.13 -45.91 89.74 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.981 0.809 . . . . 0.0 110.835 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -66.51 -40.85 89.43 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.673 0.789 . . . . 0.0 112.354 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.31 -45.78 89.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.887 0.875 . . . . 0.0 111.995 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -71.91 -34.52 69.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.36 -15.15 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.224 1.01 . . . . 0.0 113.561 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.26 11.92 81.49 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.725 1.155 . . . . 0.0 114.7 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.02 90.01 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.256 1.408 . . . . 0.0 114.17 171.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 tp -137.43 140.49 41.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 110.664 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -79.99 157.79 26.72 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.742 0.817 . . . . 0.0 112.42 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -65.8 -34.29 77.82 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.175 -0.953 . . . . 0.0 112.688 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.25 93.6 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.142 0.977 . . . . 0.0 112.358 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.78 -39.13 70.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.453 0.701 . . . . 0.0 111.826 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.7 95.28 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.589 -0.695 . . . . 0.0 111.279 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.58 -46.95 85.85 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.815 0.734 . . . . 0.0 112.051 174.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.72 55.12 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.553 0.741 . . . . 0.0 111.709 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.83 -37.41 81.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.683 1.193 . . . . 0.0 112.187 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.66 -33.96 75.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.998 0.817 . . . . 0.0 113.129 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.55 25.97 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 C-N-CA 124.738 1.161 . . . . 0.0 114.69 -177.406 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.45 -34.33 58.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.498 0.719 . . . . 0.0 112.781 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.92 -36.62 62.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.552 1.141 . . . . 0.0 112.104 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.1 -50.13 67.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.296 1.038 . . . . 0.0 111.267 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.19 -38.03 70.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.177 0.991 . . . . 0.0 113.075 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.56 78.91 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.725 0.81 . . . . 0.0 112.449 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.06 -32.71 67.33 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.018 1.327 . . . . 0.0 112.617 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -72.58 -37.86 68.04 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.467 1.507 . . . . 0.0 112.108 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -65.59 -35.38 80.65 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.064 -1.022 . . . . 0.0 112.366 169.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.05 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -75.95 -30.48 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 120.635 -1.291 . . . . 0.0 112.786 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -68.08 -29.7 68.72 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.1 10.56 40.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.256 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.268 3.3 t-20 51.89 36.12 17.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.104 2.561 . . . . 0.0 114.536 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -77.32 -27.44 52.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.199 1.0 . . . . 0.0 110.808 161.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -113.05 162.9 15.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.787 2.035 . . . . 0.0 109.295 164.426 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.508 ' H ' HD13 ' A' ' 28' ' ' LEU . 73.8 m -121.33 158.01 29.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.52 1.528 . . . . 0.0 111.368 176.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mm -53.5 -47.66 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.884 1.274 . . . . 0.0 111.374 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.77 -29.26 58.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.45 -0.781 . . . . 0.0 112.6 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -73.42 -32.56 64.49 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.427 -0.795 . . . . 0.0 110.886 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.89 87.03 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 120.454 -1.404 . . . . 0.0 111.558 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.39 -38.14 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.763 0.825 . . . . 0.0 110.622 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -71.96 -27.73 62.97 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.076 0.951 . . . . 0.0 112.937 172.677 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.99 62.11 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.465 -0.772 . . . . 0.0 112.875 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.9 -51.62 69.25 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 112.215 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -64.16 -41.1 97.29 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.881 0.472 . . . . 0.0 111.366 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.87 -48.14 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.478 1.111 . . . . 0.0 111.138 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.1 mm? -65.3 -40.14 93.41 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.678 -0.639 . . . . 0.0 112.007 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.8 m -61.78 -46.98 87.22 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 0.698 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -68.97 -38.09 79.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.662 0.785 . . . . 0.0 112.433 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -61.81 -44.21 97.32 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.314 0.961 . . . . 0.0 112.023 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -73.77 -33.57 64.32 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.33 -22.77 59.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.494 1.118 . . . . 0.0 113.799 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.09 10.28 62.7 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.577 1.084 . . . . 0.0 114.759 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.67 86.94 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.665 1.126 . . . . 0.0 113.766 168.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 tp -139.75 139.39 36.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.021 1.728 . . . . 0.0 111.525 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.63 157.92 22.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.458 1.103 . . . . 0.0 112.282 174.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.64 -40.48 83.53 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.633 0.773 . . . . 0.0 112.785 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.722 0.809 . . . . 0.0 112.155 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.55 70.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.622 0.769 . . . . 0.0 111.772 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.17 86.66 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.304 -0.872 . . . . 0.0 111.805 175.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -61.36 -45.65 93.52 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.752 -0.593 . . . . 0.0 111.652 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.97 75.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.483 0.713 . . . . 0.0 112.5 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 mp -71.54 -35.37 70.62 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.811 1.244 . . . . 0.0 112.204 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.94 -35.53 80.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.949 0.795 . . . . 0.0 112.789 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.15 -1.89 34.84 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.565 0 C-N-CA 124.794 1.188 . . . . 0.0 115.68 176.088 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.1 141.02 20.47 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.854 3.036 . . . . 0.0 112.951 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.27 -164.44 14.74 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.988 1.28 . . . . 0.0 115.24 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m -76.82 -19.11 57.92 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.307 1.043 . . . . 0.0 113.043 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -83.05 -36.43 24.95 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.099 1.36 . . . . 0.0 113.247 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.257 5.8 t 47.4 -161.1 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.646 2.378 . . . . 0.0 114.617 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.64 19.03 78.96 Favored Glycine 0 CA--C 1.539 1.566 0 O-C-N 120.709 -1.244 . . . . 0.0 115.879 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.52 64.32 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.57 -145.48 49.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.436 1.017 . . . . 0.0 114.651 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -113.79 151.84 45.05 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.991 1.716 . . . . 0.0 110.973 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.71 141.75 80.42 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.289 2.659 . . . . 0.0 112.078 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -104.86 154.98 19.34 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 112.882 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -56.2 -26.47 51.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.443 0.697 . . . . 0.0 112.195 164.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -21.72 64.07 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.38 -42.09 13.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.565 1.146 . . . . 0.0 112.223 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -75.24 -47.71 26.83 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 124.899 1.28 . . . . 0.0 112.172 -174.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.65 -34.12 77.14 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.243 -0.91 . . . . 0.0 112.153 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.3 89.05 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.407 1.083 . . . . 0.0 112.672 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.17 -42.44 31.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 111.506 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.29 -36.11 82.12 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.15 1.38 . . . . 0.0 113.072 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.4 m -61.51 -36.39 80.4 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.306 0.957 . . . . 0.0 112.541 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.44 71.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.022 0.374 . . . . 0.0 111.751 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 p -84.29 -31.34 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.084 -1.01 . . . . 0.0 112.12 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -62.75 -35.85 81.12 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.148 0.979 . . . . 0.0 112.556 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -88.87 8.54 28.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.46 1.504 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.6 27.51 15.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.347 1.859 . . . . 0.0 114.397 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -82.93 -28.5 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.297 1.039 . . . . 0.0 112.038 168.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.16 138.98 53.29 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.017 1.727 . . . . 0.0 109.442 -171.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -80.52 157.01 26.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.919 0.888 . . . . 0.0 112.766 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mm -55.43 -45.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.112 1.365 . . . . 0.0 110.148 168.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.64 -36.32 73.36 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.307 -0.871 . . . . 0.0 111.533 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -43.01 73.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.074 0.95 . . . . 0.0 110.7 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 -25.35 68.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.718 -1.239 . . . . 0.0 113.121 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -77.47 -41.12 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.717 1.207 . . . . 0.0 111.198 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -29.11 60.31 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.26 -17.02 53.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.42 1.088 . . . . 0.0 113.921 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.7 tp -72.2 -40.6 67.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.166 1.386 . . . . 0.0 113.551 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.2 m 54.53 82.05 0.25 Allowed Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.168 1.387 . . . . 0.0 110.693 -154.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -59.85 145.78 97.38 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.595 2.863 . . . . 0.0 114.603 -169.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -79.81 153.51 29.08 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.598 1.159 . . . . 0.0 110.994 167.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -30.19 69.22 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.731 0.813 . . . . 0.0 112.735 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.74 -174.37 39.09 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.687 1.137 . . . . 0.0 113.488 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.68 -164.6 34.19 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.751 1.167 . . . . 0.0 113.14 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.49 -134.25 33.09 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.143 0.878 . . . . 0.0 113.451 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -138.4 167.67 21.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.947 1.699 . . . . 0.0 111.332 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.25 -143.53 34.59 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 123.941 0.782 . . . . 0.0 112.552 -168.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.09 107.05 1.91 Allowed Glycine 0 CA--C 1.533 1.212 0 CA-C-N 117.761 0.781 . . . . 0.0 111.927 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.94 -25.33 75.71 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.957 0.789 . . . . 0.0 114.813 -171.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.5 m -80.3 43.21 0.62 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.231 1.812 . . . . 0.0 113.484 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.4 tpt -82.66 97.95 8.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.572 1.149 . . . . 0.0 109.239 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -78.94 150.66 32.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.291 1.036 . . . . 0.0 113.007 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.75 66.08 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.32 -50.47 72.85 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.11 0.964 . . . . 0.0 111.547 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.66 -38.75 87.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.321 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.409 HG21 ' HG ' ' A' ' 73' ' ' LEU . 63.1 mt -62.1 -50.51 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.701 0.8 . . . . 0.0 111.194 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.86 -39.91 94.31 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.119 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -60.29 -46.76 88.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.914 0.779 . . . . 0.0 110.961 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.34 -38.44 71.64 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.38 -44.88 95.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.879 0.763 . . . . 0.0 111.375 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -70.98 -36.2 72.42 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.72 -15.33 62.19 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.386 1.075 . . . . 0.0 113.375 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.33 10.52 79.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.841 1.21 . . . . 0.0 114.403 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.68 -5.97 89.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.562 1.554 . . . . 0.0 114.622 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.5 tp -133.05 137.29 46.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.095 1.758 . . . . 0.0 110.571 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.16 154.47 40.3 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 0.0 112.425 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -61.27 -38.01 85.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.491 0.716 . . . . 0.0 112.302 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.18 96.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.229 1.012 . . . . 0.0 111.986 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.04 81.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.566 0.746 . . . . 0.0 111.889 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.62 77.12 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.069 0.548 . . . . 0.0 111.223 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.02 -42.52 99.25 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.388 -0.82 . . . . 0.0 112.312 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.96 70.63 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.357 0.663 . . . . 0.0 112.483 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 mp -71.14 -31.97 68.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.232 1.013 . . . . 0.0 112.425 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HG ' HG21 ' A' ' 55' ' ' ILE . 96.5 mt -69.71 -36.22 75.72 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.004 0.82 . . . . 0.0 112.688 171.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.99 60.81 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.2 30.58 19.39 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.154 1.359 . . . . 0.0 114.791 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -132.4 173.76 10.96 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.405 1.882 . . . . 0.0 112.644 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.3 p -81.65 145.34 54.3 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.291 1.036 . . . . 0.0 112.872 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.62 163.51 38.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.888 2.392 . . . . 0.0 112.087 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.05 153.79 48.12 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.914 1.286 . . . . 0.0 113.07 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.18 163.1 38.6 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.289 1.836 . . . . 0.0 111.423 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.44 121.84 85.89 Favored Pre-proline 0 CA--C 1.554 1.122 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.703 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -81.35 74.01 5.64 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.124 3.216 . . . . 0.0 111.438 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -76.79 150.66 81.8 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 125.935 1.694 . . . . 0.0 112.212 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.257 1.446 0 C-N-CA 123.539 2.826 . . . . 0.0 113.089 178.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.52 159.14 46.79 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.803 3.002 . . . . 0.0 113.349 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.19 -142.46 48.44 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.277 0.942 . . . . 0.0 114.328 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 m -87.19 12.14 12.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.207 1.403 . . . . 0.0 114.098 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.99 140.6 58.33 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.287 1.035 . . . . 0.0 112.672 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -87.32 -17.98 31.18 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -168.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.11 12.74 56.07 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 119.224 0.92 . . . . 0.0 114.56 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.27 30.41 7.9 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.822 1.649 . . . . 0.0 114.901 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.67 152.81 52.55 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.446 1.022 . . . . 0.0 114.193 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -138.49 157.5 72.17 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.862 1.665 . . . . 0.0 112.902 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -63.42 154.8 66.17 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 124.094 3.196 . . . . 0.0 113.666 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 t -78.59 140.79 38.44 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.484 0.714 . . . . 0.0 111.91 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -56.54 -28.85 61.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.66 0.784 . . . . 0.0 112.761 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.25 -27.74 60.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.638 0.775 . . . . 0.0 112.637 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.87 -41.08 27.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.015 0.926 . . . . 0.0 112.039 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.77 -53.57 48.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.223 1.009 . . . . 0.0 111.571 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.51 -34.0 76.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.218 -0.927 . . . . 0.0 113.071 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.85 75.71 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.626 0.771 . . . . 0.0 112.268 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.19 -51.71 42.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.745 1.218 . . . . 0.0 111.101 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.4 -38.68 87.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.767 1.227 . . . . 0.0 112.0 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.4 m -60.53 -27.18 67.43 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.47 -35.83 24.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.499 0.59 . . . . 0.0 112.497 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.45 -36.72 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.83 1.195 . . . . 0.0 112.367 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -59.93 -28.67 67.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.798 1.239 . . . . 0.0 112.664 172.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -102.13 16.03 27.32 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.466 1.906 . . . . 0.0 113.236 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.9 t30 60.26 20.8 10.23 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.428 1.891 . . . . 0.0 114.74 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -91.62 -17.94 24.78 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.435 1.494 . . . . 0.0 113.515 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.12 138.75 49.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 109.287 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -83.58 158.22 22.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.449 1.1 . . . . 0.0 112.726 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.59 -52.77 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.549 1.14 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.16 -25.96 42.78 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.631 -0.668 . . . . 0.0 112.784 -173.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -69.09 -37.77 78.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.35 0.66 . . . . 0.0 110.82 169.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.96 -32.1 73.12 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.747 -1.22 . . . . 0.0 112.481 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.16 -38.57 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.3 -0.875 . . . . 0.0 110.635 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -22.77 55.63 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -89.51 -24.55 21.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.465 1.106 . . . . 0.0 113.2 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -65.81 -44.3 86.08 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.911 1.285 . . . . 0.0 112.525 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.2 m 48.08 73.73 0.94 Allowed Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 126.925 2.09 . . . . 0.0 114.762 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -65.88 167.83 16.77 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.872 2.381 . . . . 0.0 112.041 165.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -74.22 -24.27 59.3 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? 47.13 47.18 16.34 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.679 1.992 . . . . 0.0 113.453 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.63 165.87 46.99 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.05 -1.031 . . . . 0.0 113.148 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.71 -16.59 63.73 Favored Glycine 0 N--CA 1.48 1.608 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -153.29 20.22 0.73 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.433 1.492 . . . . 0.0 114.585 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.8 p -87.43 -10.88 50.73 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.58 -148.72 7.99 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.807 1.194 . . . . 0.0 113.585 -174.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.75 177.26 50.26 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.115 1.34 . . . . 0.0 113.467 -175.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.38 -135.89 24.32 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.395 0.522 . . . . 0.0 112.236 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 m -61.18 144.16 54.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.47 1.108 . . . . 0.0 112.543 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.2 mmt 51.53 46.78 25.98 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.249 1.42 . . . . 0.0 113.7 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.39 157.92 34.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.692 -0.63 . . . . 0.0 110.106 155.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.9 -36.37 67.6 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.742 -1.224 . . . . 0.0 113.255 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.7 -44.2 81.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.071 1.348 . . . . 0.0 112.783 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -71.13 -41.74 70.12 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.271 1.028 . . . . 0.0 110.94 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.71 -47.83 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.237 1.015 . . . . 0.0 111.362 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.21 -36.09 82.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.599 -0.688 . . . . 0.0 111.572 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.8 m -62.01 -44.66 96.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.688 0.677 . . . . 0.0 111.362 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 -38.14 82.23 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.466 0.707 . . . . 0.0 112.461 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -70.0 -39.27 75.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -73.45 -33.88 65.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.362 0.665 . . . . 0.0 112.749 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.67 -12.18 61.2 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.548 1.139 . . . . 0.0 112.808 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.39 88.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.148 1.356 . . . . 0.0 114.222 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -12.65 84.22 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.055 1.312 . . . . 0.0 114.413 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 tp -121.18 143.27 49.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.272 1.829 . . . . 0.0 110.924 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.18 157.79 18.71 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.301 1.04 . . . . 0.0 112.045 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -59.14 -39.84 83.64 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.453 -0.779 . . . . 0.0 112.902 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.71 95.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.579 0.751 . . . . 0.0 112.46 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 -38.92 67.19 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.409 0.684 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.12 85.38 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.113 -0.992 . . . . 0.0 111.536 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.19 -43.23 92.21 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.492 -0.755 . . . . 0.0 112.321 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.67 40.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.453 0.701 . . . . 0.0 112.106 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -36.75 84.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.766 1.226 . . . . 0.0 112.415 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.47 -32.58 71.58 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.104 0.866 . . . . 0.0 113.201 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.81 -3.01 42.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.45 19.8 77.67 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.757 1.17 . . . . 0.0 115.028 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -110.11 161.33 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.451 2.3 . . . . 0.0 111.276 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.7 p -77.6 150.91 79.76 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.746 0.818 . . . . 0.0 111.982 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -57.1 155.86 27.03 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.875 3.05 . . . . 0.0 114.648 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.39 40.89 0.37 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.874 1.67 . . . . 0.0 114.014 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.66 147.85 50.07 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 120.937 -1.102 . . . . 0.0 112.361 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.24 150.74 30.1 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.852 1.261 . . . . 0.0 111.342 171.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.83 69.07 6.27 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 124.385 3.39 . . . . 0.0 110.362 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -143.88 145.77 31.86 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 127.077 2.151 . . . . 0.0 111.021 -169.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo . . . . . 0 C--O 1.25 1.107 0 C-N-CA 123.592 2.861 . . . . 0.0 113.812 164.384 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.98 -19.71 17.63 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.33 2.687 . . . . 0.0 113.894 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.53 24.73 2.76 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.107 1.813 . . . . 0.0 113.962 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.8 p -145.67 153.44 41.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.915 1.686 . . . . 0.0 112.418 -174.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -84.59 144.62 28.51 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.91 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -155.6 158.67 38.76 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.691 1.597 . . . . 0.0 111.58 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.88 158.11 51.95 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 124.646 1.117 . . . . 0.0 113.416 176.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.42 152.93 25.94 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.488 1.115 . . . . 0.0 113.178 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.94 176.55 54.65 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.808 1.194 . . . . 0.0 113.975 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.61 145.88 82.67 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.701 0.8 . . . . 0.0 111.897 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.01 148.69 57.53 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.754 2.303 . . . . 0.0 111.439 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -77.67 150.19 34.57 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.781 -0.574 . . . . 0.0 111.116 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -56.24 -26.1 50.11 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 166.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.49 44.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.157 0.983 . . . . 0.0 113.388 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -68.73 -38.74 80.39 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.588 0.709 . . . . 0.0 111.488 171.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.74 -49.45 65.94 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.299 1.039 . . . . 0.0 111.044 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -55.36 -40.78 71.71 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.663 0.665 . . . . 0.0 112.528 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.96 83.34 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.705 0.802 . . . . 0.0 112.433 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.85 -48.88 72.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.03 -41.57 95.14 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.309 1.443 . . . . 0.0 111.937 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -60.13 -27.06 66.75 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.34 -0.85 . . . . 0.0 112.941 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.14 -31.83 34.0 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.07 -33.63 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.688 -1.257 . . . . 0.0 112.344 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.85 -26.38 68.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.878 1.271 . . . . 0.0 112.625 170.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -98.23 11.4 38.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.426 1.89 . . . . 0.0 112.679 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 61.34 21.03 11.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.903 2.081 . . . . 0.0 115.214 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -99.64 -10.72 21.65 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.64 1.576 . . . . 0.0 114.365 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -126.68 137.47 53.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.971 1.708 . . . . 0.0 108.686 173.708 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -84.64 157.69 21.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.171 0.988 . . . . 0.0 112.601 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -54.44 -53.76 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.727 1.211 . . . . 0.0 110.848 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.57 -32.15 73.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.591 0.757 . . . . 0.0 111.762 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -72.33 -41.75 66.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.778 0.831 . . . . 0.0 111.297 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -66.33 -29.38 69.56 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.379 -1.45 . . . . 0.0 112.412 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.45 -47.72 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.676 -0.64 . . . . 0.0 109.987 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -25.92 63.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.815 1.189 . . . . 0.0 113.858 -173.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.03 -19.25 44.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.56 1.144 . . . . 0.0 113.114 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 tp -80.28 -54.56 5.62 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.211 1.004 . . . . 0.0 110.873 168.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.7 m -143.93 118.7 6.08 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 126.778 2.031 . . . . 0.0 109.079 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -65.39 123.95 12.2 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 122.914 2.409 . . . . 0.0 113.462 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -134.32 -28.79 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.161 1.784 . . . . 0.0 113.971 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 58.21 -53.7 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 128.96 2.904 . . . . 0.0 116.195 -171.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.37 6.3 77.15 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.914 1.721 . . . . 0.0 115.316 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.85 -138.74 42.31 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.721 1.26 . . . . 0.0 113.749 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.42 156.16 6.58 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.627 1.108 . . . . 0.0 114.084 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -95.8 -28.44 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.39 2.94 51.74 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.971 1.272 . . . . 0.0 116.11 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 171.64 34.91 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-N 118.552 1.176 . . . . 0.0 114.366 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.69 -2.54 89.87 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 125.059 1.314 . . . . 0.0 115.609 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -81.26 175.57 10.49 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.725 1.21 . . . . 0.0 112.61 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.34 107.42 0.77 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.021 0.915 . . . . 0.0 110.544 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -130.54 153.31 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.318 1.847 . . . . 0.0 110.616 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.88 55.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.126 0.97 . . . . 0.0 113.422 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.5 -51.13 70.69 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.199 0.909 . . . . 0.0 111.997 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.27 -40.04 81.99 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.97 -0.456 . . . . 0.0 111.37 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.0 mt -60.51 -48.43 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.325 1.05 . . . . 0.0 110.882 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.55 -37.9 88.05 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.619 -0.676 . . . . 0.0 112.139 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.3 m -62.8 -43.21 99.39 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.125 0.875 . . . . 0.0 110.986 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -66.2 -41.09 90.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.177 0.991 . . . . 0.0 112.257 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.77 -37.73 73.39 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -73.35 -33.84 65.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.709 0.686 . . . . 0.0 112.336 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -73.05 -12.36 60.89 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.48 1.112 . . . . 0.0 113.258 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.32 9.9 83.04 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.6 1.095 . . . . 0.0 114.867 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.47 -6.12 88.0 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.291 1.424 . . . . 0.0 114.245 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 tp -131.95 145.07 51.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.35 1.86 . . . . 0.0 110.573 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.34 156.8 20.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.148 0.979 . . . . 0.0 111.732 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -66.23 -35.43 80.4 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.251 -0.906 . . . . 0.0 112.705 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.81 95.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 112.39 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.83 -37.78 73.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.581 0.752 . . . . 0.0 111.791 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.06 91.93 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.509 -0.744 . . . . 0.0 111.721 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.86 -44.98 93.84 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.141 -0.974 . . . . 0.0 111.553 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.33 48.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.687 0.795 . . . . 0.0 111.7 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.32 -35.53 77.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.64 1.176 . . . . 0.0 112.239 -175.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.93 -33.66 72.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.298 0.954 . . . . 0.0 112.749 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.02 7.56 7.1 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.615 1.166 . . . . 0.0 114.103 170.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.22 23.03 74.79 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.824 1.202 . . . . 0.0 115.235 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -124.35 157.88 33.97 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.764 2.026 . . . . 0.0 111.19 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.5 p -82.58 145.05 50.2 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 123.697 0.799 . . . . 0.0 112.453 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -63.11 167.11 13.02 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.666 2.911 . . . . 0.0 113.356 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.31 7.08 6.97 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.32 162.95 0.06 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.919 2.888 . . . . 0.0 116.358 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.04 86.85 6.92 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.894 1.677 . . . . 0.0 109.855 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -74.39 6.62 3.02 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.394 2.73 . . . . 0.0 116.76 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -151.28 157.88 34.8 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 126.863 2.065 . . . . 0.0 112.368 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--O 1.253 1.267 0 C-N-CA 123.47 2.78 . . . . 0.0 112.415 168.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 118.714 -1.048 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.15 -26.5 9.42 Favored 'Cis proline' 0 CA--C 1.542 0.916 0 CA-C-N 119.306 1.553 . . . . 0.0 113.282 -1.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.12 164.35 51.3 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.797 1.189 . . . . 0.0 113.264 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.7 p -78.98 -14.87 58.95 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.784 1.234 . . . . 0.0 114.251 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -138.81 140.19 38.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.806 1.642 . . . . 0.0 111.307 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 p -134.69 10.49 3.68 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.132 1.373 . . . . 0.0 113.522 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.94 11.06 84.94 Favored Glycine 0 CA--C 1.537 1.434 0 O-C-N 121.212 -0.93 . . . . 0.0 113.956 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.45 11.6 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.525 1.93 . . . . 0.0 112.419 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.08 178.01 44.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.174 1.369 . . . . 0.0 114.38 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -139.27 152.44 69.47 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 125.716 1.606 . . . . 0.0 112.616 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.65 149.82 74.04 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.486 2.791 . . . . 0.0 112.347 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -73.1 145.28 46.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.553 0.741 . . . . 0.0 112.185 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -57.28 -27.14 61.86 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.374 0.67 . . . . 0.0 112.59 169.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -32.45 62.73 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -75.41 -37.29 60.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.895 0.878 . . . . 0.0 111.873 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.18 -49.21 65.47 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.269 1.028 . . . . 0.0 111.499 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.91 -37.42 79.4 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.77 0.828 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.13 94.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.611 0.765 . . . . 0.0 112.371 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.91 -50.09 45.67 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.327 1.051 . . . . 0.0 110.991 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.661 1.184 . . . . 0.0 111.797 -173.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -60.36 -29.14 68.72 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.475 -0.766 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.08 44.26 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.45 -35.47 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 120.827 -1.171 . . . . 0.0 111.686 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.81 -31.4 72.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.33 1.052 . . . . 0.0 112.946 171.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -86.58 6.15 32.2 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.546 1.538 . . . . 0.0 113.548 174.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.38 37.97 29.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.918 1.687 . . . . 0.0 113.302 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -102.95 -17.05 15.65 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.12 1.768 . . . . 0.0 113.302 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -127.1 141.11 51.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.947 1.699 . . . . 0.0 109.404 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -90.25 159.19 16.82 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.637 1.175 . . . . 0.0 113.755 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.4 mm -55.83 -53.33 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.131 1.373 . . . . 0.0 110.858 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.86 -30.81 67.3 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.516 -0.74 . . . . 0.0 112.144 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.03 -46.37 81.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.2 1.0 . . . . 0.0 111.103 171.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.45 -30.72 71.55 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.705 -1.247 . . . . 0.0 112.618 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.4 t -73.63 -42.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 t -71.33 -27.75 63.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.234 0.924 . . . . 0.0 113.405 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -82.2 -23.69 35.31 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.417 1.087 . . . . 0.0 113.372 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.45 -54.59 8.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.43 1.092 . . . . 0.0 112.089 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -76.21 123.91 88.09 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 123.184 0.594 . . . . 0.0 112.01 -165.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.15 151.17 66.72 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.011 2.474 . . . . 0.0 111.757 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -85.38 149.5 25.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.819 0.848 . . . . 0.0 112.119 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 59.43 162.35 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 127.391 2.276 . . . . 0.0 114.416 -165.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.62 -178.18 36.04 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.761 1.172 . . . . 0.0 114.148 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 171.48 169.01 33.88 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.214 0.912 . . . . 0.0 114.266 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.87 169.74 33.46 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.771 1.177 . . . . 0.0 112.964 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.8 p -80.43 152.14 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 0.0 112.828 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.42 167.23 53.02 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.332 0.968 . . . . 0.0 114.177 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.92 -7.37 75.62 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.491 1.044 . . . . 0.0 114.939 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.66 -172.45 42.17 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.553 2.025 . . . . 0.0 112.568 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.7 m -79.58 62.58 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.216 1.407 . . . . 0.0 112.739 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -134.6 131.14 37.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.306 1.443 . . . . 0.0 110.737 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -124.79 148.44 48.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.428 1.491 . . . . 0.0 111.59 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.26 69.58 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.03 -51.89 67.7 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.1 0.864 . . . . 0.0 110.964 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.44 -41.42 98.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.799 0.84 . . . . 0.0 112.048 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.46 -49.5 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.188 0.995 . . . . 0.0 110.433 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.4 -38.2 89.25 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.401 0.546 . . . . 0.0 111.79 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.1 m -61.03 -47.3 87.03 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.056 0.844 . . . . 0.0 110.934 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.7 -45.36 94.32 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.501 0.591 . . . . 0.0 111.602 173.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -66.33 -35.26 79.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.587 0.755 . . . . 0.0 112.926 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.0 -36.31 61.97 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.692 -0.63 . . . . 0.0 112.688 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -72.97 -13.51 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.898 1.279 . . . . 0.0 113.636 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.48 8.55 77.25 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.537 1.065 . . . . 0.0 114.719 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.63 3.91 80.87 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.136 1.827 . . . . 0.0 114.863 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 tp -143.6 153.02 42.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.375 1.87 . . . . 0.0 110.145 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -100.06 157.16 16.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.041 1.336 . . . . 0.0 111.795 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -66.18 -32.4 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.142 -0.974 . . . . 0.0 113.243 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.31 98.35 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.847 0.859 . . . . 0.0 112.425 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.71 70.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.132 0.573 . . . . 0.0 111.363 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.39 89.74 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.834 0.743 . . . . 0.0 111.339 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -59.82 -45.9 90.94 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.465 -0.772 . . . . 0.0 112.639 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.59 69.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.819 0.847 . . . . 0.0 112.387 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.85 -37.08 78.89 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.811 1.244 . . . . 0.0 111.927 -175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.35 -32.79 68.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.11 -0.84 17.86 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.2 19.39 62.73 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.893 1.235 . . . . 0.0 115.362 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -126.52 -177.87 4.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.545 1.538 . . . . 0.0 112.526 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.0 p -113.94 148.83 40.8 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 125.171 1.389 . . . . 0.0 112.004 172.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -73.86 165.75 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.331 2.688 . . . . 0.0 111.944 172.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.39 12.26 14.68 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.858 1.263 . . . . 0.0 114.095 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 163.04 26.64 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.363 1.465 . . . . 0.0 113.318 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 45.67 65.77 6.16 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 127.011 2.124 . . . . 0.0 115.102 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.04 67.98 6.66 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 124.461 3.44 . . . . 0.0 112.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 47.58 57.02 17.9 Favored Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 127.03 2.132 . . . . 0.0 114.213 -175.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--O 1.252 1.191 0 C-N-CA 123.842 3.028 . . . . 0.0 113.364 178.518 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.12 158.69 33.45 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.411 3.407 . . . . 0.0 114.033 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.88 172.93 44.97 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.4 1.476 . . . . 0.0 113.458 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.2 t -150.89 149.47 29.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.868 1.267 . . . . 0.0 112.397 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.1 t80 51.21 -145.99 0.48 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.743 2.017 . . . . 0.0 113.405 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -79.71 -3.22 46.46 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 -134.73 23.03 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.358 0.98 . . . . 0.0 113.606 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.92 35.09 25.88 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.977 1.711 . . . . 0.0 114.82 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.58 -12.13 82.6 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.152 1.358 . . . . 0.0 115.58 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -138.45 152.45 71.21 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.007 1.723 . . . . 0.0 111.266 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.17 153.71 76.58 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.316 2.677 . . . . 0.0 112.036 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 m -71.97 129.42 38.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.554 0.742 . . . . 0.0 111.432 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -59.86 -30.03 68.7 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -30.23 52.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.593 1.157 . . . . 0.0 113.232 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.78 -35.47 64.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.801 0.84 . . . . 0.0 111.615 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.17 -52.43 62.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.973 0.909 . . . . 0.0 110.532 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.51 -39.12 72.79 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.484 -0.76 . . . . 0.0 112.824 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.53 77.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.636 0.774 . . . . 0.0 112.477 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.09 -48.1 72.07 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.172 0.989 . . . . 0.0 111.079 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.06 -36.72 84.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.992 0.917 . . . . 0.0 111.864 -173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -59.52 -33.73 71.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.83 58.93 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.498 0.59 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.9 -33.1 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.251 -0.905 . . . . 0.0 111.726 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -63.96 -26.59 68.65 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.244 1.018 . . . . 0.0 112.627 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.49 14.01 31.35 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.277 1.831 . . . . 0.0 112.249 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 61.78 18.89 10.11 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.379 1.872 . . . . 0.0 115.251 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -99.16 -10.79 22.04 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.134 1.374 . . . . 0.0 114.327 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -129.73 135.66 48.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.894 1.678 . . . . 0.0 108.776 177.106 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 m -84.49 160.38 20.55 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mm -55.83 -52.7 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.294 1.038 . . . . 0.0 110.891 175.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.51 -32.71 72.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -66.73 -45.46 78.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.061 0.944 . . . . 0.0 110.525 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.63 -27.54 68.46 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 112.901 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.1 t -75.43 -40.12 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 118.773 0.715 . . . . 0.0 110.768 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -30.59 62.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.454 1.025 . . . . 0.0 113.31 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.37 -18.97 47.45 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.28 -36.85 77.49 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.712 1.205 . . . . 0.0 113.463 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.1 m 56.26 80.83 0.27 Allowed Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.934 1.294 . . . . 0.0 110.612 -156.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -64.78 163.52 27.6 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.152 3.235 . . . . 0.0 115.112 -168.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.4 mtm105 -59.51 142.73 51.91 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.478 1.111 . . . . 0.0 110.868 166.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -123.22 132.67 54.13 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.391 1.476 . . . . 0.0 111.893 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.41 -42.89 2.1 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.071 1.32 . . . . 0.0 113.287 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.63 -144.51 9.0 Favored Glycine 0 N--CA 1.474 1.2 0 CA-C-N 117.859 0.829 . . . . 0.0 113.68 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.98 -18.68 62.57 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.525 1.06 . . . . 0.0 115.192 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -86.58 4.25 40.94 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.07 1.348 . . . . 0.0 113.659 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.64 -135.23 12.75 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.723 1.154 . . . . 0.0 112.715 -175.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.05 164.67 51.72 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.476 1.036 . . . . 0.0 114.779 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.15 -154.98 10.18 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.641 1.115 . . . . 0.0 113.181 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.6 m -60.54 148.0 39.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.096 0.958 . . . . 0.0 112.264 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.9 mtt 48.33 75.81 0.13 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.173 1.789 . . . . 0.0 111.715 -172.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.4 149.58 45.84 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.091 -1.005 . . . . 0.0 111.46 177.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.05 61.77 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.868 0.867 . . . . 0.0 113.0 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -56.54 -48.48 77.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.086 1.354 . . . . 0.0 112.471 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.46 -40.96 73.37 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.279 0.631 . . . . 0.0 111.377 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.77 -47.31 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.005 0.922 . . . . 0.0 111.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.58 -38.62 91.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.351 0.523 . . . . 0.0 112.187 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -61.97 -46.2 90.31 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.55 0.614 . . . . 0.0 111.136 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -65.21 -42.41 93.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.138 0.975 . . . . 0.0 112.428 176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -63.78 -43.37 96.57 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -72.14 -37.29 69.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.404 0.547 . . . . 0.0 112.386 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.19 -15.94 63.51 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.426 1.09 . . . . 0.0 113.386 173.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.19 73.55 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.047 1.308 . . . . 0.0 114.337 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.23 -7.04 88.91 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.925 1.25 . . . . 0.0 114.652 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.84 141.7 46.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.769 2.028 . . . . 0.0 110.757 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.45 159.64 17.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.176 0.99 . . . . 0.0 112.427 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -56.19 -43.1 78.14 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.247 1.019 . . . . 0.0 112.921 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.83 98.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.572 0.749 . . . . 0.0 112.17 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.0 -36.77 69.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.429 0.692 . . . . 0.0 112.161 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -46.69 88.97 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.223 -0.923 . . . . 0.0 111.599 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -61.16 -44.77 96.79 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.722 0.692 . . . . 0.0 111.789 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.7 64.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.566 0.746 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.26 -35.69 73.95 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.67 1.188 . . . . 0.0 112.198 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.0 -35.27 80.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.07 -1.019 . . . . 0.0 112.511 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.65 -10.36 59.37 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.18 12.37 76.5 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.176 1.369 . . . . 0.0 115.339 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -85.97 171.92 11.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.929 2.092 . . . . 0.0 111.456 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 p -85.72 156.42 58.58 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 124.446 1.098 . . . . 0.0 111.757 166.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.49 145.07 70.81 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.636 2.891 . . . . 0.0 113.599 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.78 24.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.285 1.434 . . . . 0.0 112.189 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.23 152.35 47.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.851 1.66 . . . . 0.0 111.417 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.37 129.06 70.7 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.264 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.83 64.02 8.81 Favored 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 124.77 3.646 . . . . 0.0 111.258 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -68.45 149.18 98.11 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 C--O 1.254 1.308 0 C-N-CA 124.167 3.244 . . . . 0.0 112.957 177.385 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.55 147.13 96.15 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.856 3.037 . . . . 0.0 113.666 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.32 139.2 23.68 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.108 0.861 . . . . 0.0 113.523 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -155.76 154.86 32.09 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.53 1.532 . . . . 0.0 111.568 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -76.78 149.52 36.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.015 0.926 . . . . 0.0 112.782 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 t -146.92 149.99 34.32 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.164 1.385 . . . . 0.0 110.862 168.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.35 154.86 52.07 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.151 0.881 . . . . 0.0 114.423 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.68 3.0 11.72 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.817 1.647 . . . . 0.0 114.475 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.53 -149.81 44.11 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.719 1.152 . . . . 0.0 114.285 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -135.38 158.42 74.55 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.242 1.817 . . . . 0.0 111.807 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.36 81.05 1.82 Allowed 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.92 3.08 . . . . 0.0 111.655 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 t -63.99 142.2 58.49 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.758 1.223 . . . . 0.0 112.343 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -58.71 -25.78 63.24 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 172.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 -35.33 58.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.41 0.684 . . . . 0.0 112.29 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.94 -35.18 64.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.13 0.972 . . . . 0.0 111.896 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 mt -69.04 -43.0 75.57 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.556 1.142 . . . . 0.0 111.553 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.25 -40.56 86.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.528 1.058 . . . . 0.0 112.322 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.13 92.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.305 0.642 . . . . 0.0 112.363 177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.8 tp -70.14 -49.8 47.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.932 0.893 . . . . 0.0 111.327 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.6 -42.79 86.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.403 1.481 . . . . 0.0 112.217 -173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -32.54 72.82 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.064 -1.023 . . . . 0.0 112.31 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.39 70.09 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.54 -0.725 . . . . 0.0 111.975 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 p -79.0 -32.12 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.927 -1.108 . . . . 0.0 112.508 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -69.72 -25.91 64.08 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.82 8.12 38.71 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.552 1.541 . . . . 0.0 114.027 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.9 t30 58.8 27.04 15.51 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.587 1.955 . . . . 0.0 114.603 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -83.63 -23.54 31.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.591 1.156 . . . . 0.0 112.358 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.87 143.01 51.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.857 2.063 . . . . 0.0 108.572 -175.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -91.26 159.34 16.09 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.859 -1.15 . . . . 0.0 113.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.3 mm -55.24 -53.12 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.303 1.441 . . . . 0.0 110.429 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -66.62 -32.41 73.71 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.638 -0.664 . . . . 0.0 111.804 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.69 -46.02 70.12 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.348 1.059 . . . . 0.0 111.213 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.78 68.04 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.187 -0.946 . . . . 0.0 113.068 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -76.49 -41.82 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.427 1.091 . . . . 0.0 111.216 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -30.37 62.24 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.409 1.004 . . . . 0.0 113.087 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.55 -19.4 57.95 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.644 0.777 . . . . 0.0 112.831 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tp -78.56 -42.41 29.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.144 0.977 . . . . 0.0 111.677 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.7 m -89.15 114.98 62.42 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 124.34 1.056 . . . . 0.0 113.034 -165.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.15 149.92 52.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.109 2.54 . . . . 0.0 112.344 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -86.6 -28.12 23.46 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.205 1.002 . . . . 0.0 113.031 -175.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -93.01 141.18 28.69 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.813 1.645 . . . . 0.0 111.994 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.92 7.22 75.28 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.19 86.45 0.25 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.9 1.238 . . . . 0.0 113.044 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -11.67 83.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -74.17 154.0 39.27 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.536 1.168 . . . . 0.0 112.597 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.27 -177.59 16.55 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 128.91 3.148 . . . . 0.0 113.082 3.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.4 -174.3 53.71 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.67 1.128 . . . . 0.0 114.619 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.57 -162.33 52.22 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.386 0.993 . . . . 0.0 113.635 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.1 m -65.79 140.5 58.42 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.945 0.898 . . . . 0.0 111.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 mpp? 52.69 54.99 9.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 112.809 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.47 153.79 40.2 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.25 -0.906 . . . . 0.0 110.963 165.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.27 -39.29 63.78 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.31 -50.15 74.15 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.014 0.825 . . . . 0.0 110.914 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.29 -41.4 98.46 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.194 0.997 . . . . 0.0 111.857 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.053 0.941 . . . . 0.0 110.955 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.8 -38.44 90.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.656 0.662 . . . . 0.0 112.105 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.0 -47.82 83.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.499 0.72 . . . . 0.0 110.882 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -68.67 -38.5 80.43 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.861 -0.524 . . . . 0.0 112.399 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.12 -46.23 88.28 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.864 0.866 . . . . 0.0 112.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -70.37 -33.26 71.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.083 0.553 . . . . 0.0 112.476 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.68 -12.27 60.16 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.373 1.069 . . . . 0.0 113.541 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.63 10.23 84.6 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.817 1.199 . . . . 0.0 115.295 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.33 86.99 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.979 1.276 . . . . 0.0 114.04 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 tp -136.93 141.45 42.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.647 1.979 . . . . 0.0 110.432 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -84.48 161.26 20.34 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.026 0.93 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -64.68 -36.95 85.94 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.022 -1.049 . . . . 0.0 111.785 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.86 65.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 113.422 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.97 -41.74 15.58 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.093 0.957 . . . . 0.0 111.446 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.8 84.02 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.468 -0.77 . . . . 0.0 111.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.01 -41.73 88.44 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.829 0.851 . . . . 0.0 112.131 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.54 71.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.335 0.654 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.83 -33.44 66.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.945 0.898 . . . . 0.0 112.402 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.08 -35.23 79.37 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.055 0.942 . . . . 0.0 112.337 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 0.32 44.13 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.43 23.1 65.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.631 1.11 . . . . 0.0 115.413 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -124.79 164.32 20.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.688 1.995 . . . . 0.0 112.29 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.9 p -72.89 148.0 89.14 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 123.371 0.669 . . . . 0.0 112.787 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -52.3 137.35 55.79 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.91 3.073 . . . . 0.0 114.701 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.56 26.23 5.5 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.026 1.731 . . . . 0.0 115.309 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -137.81 163.12 32.18 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.958 1.703 . . . . 0.0 112.319 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.55 143.04 28.12 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.867 1.267 . . . . 0.0 112.344 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -86.76 14.21 2.5 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.015 3.144 . . . . 0.0 115.32 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -129.48 148.74 70.52 Favored Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 126.505 1.922 . . . . 0.0 112.101 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.254 1.324 0 C-N-CA 123.914 3.076 . . . . 0.0 113.222 178.159 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 CA-C-O 119.198 -0.779 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.62 157.7 35.89 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.18 3.253 . . . . 0.0 114.649 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.62 175.63 43.87 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.787 1.185 . . . . 0.0 114.832 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 m 55.39 29.27 12.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.785 1.634 . . . . 0.0 115.372 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -139.89 165.43 27.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.798 1.639 . . . . 0.0 113.338 -171.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p 57.48 11.66 1.27 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 128.68 2.792 . . . . 0.0 116.798 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.66 12.92 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.888 1.233 . . . . 0.0 114.153 -172.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.908 1.354 . . . . 0.0 110.836 168.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.15 168.09 21.93 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.893 1.235 . . . . 0.0 113.352 167.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -145.06 156.37 54.87 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 111.686 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.56 158.32 57.62 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.506 2.804 . . . . 0.0 113.188 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -68.16 128.67 37.38 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.556 1.143 . . . . 0.0 113.212 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -65.67 -27.38 68.32 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.49 -33.26 66.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.752 0.821 . . . . 0.0 112.769 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.2 -36.91 74.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.021 0.928 . . . . 0.0 111.765 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.25 -49.08 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.383 1.073 . . . . 0.0 111.387 171.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.05 -37.99 78.32 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.413 -0.804 . . . . 0.0 112.716 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.12 78.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.773 0.829 . . . . 0.0 112.38 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.22 -45.62 83.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.656 1.183 . . . . 0.0 111.053 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.9 -44.42 85.31 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.799 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 m -60.44 -33.67 72.87 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.775 -1.203 . . . . 0.0 112.576 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.98 71.95 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.598 0.635 . . . . 0.0 112.498 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.8 -31.84 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 120.7 -1.25 . . . . 0.0 112.954 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -65.38 -30.16 70.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.469 1.108 . . . . 0.0 112.552 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -93.92 10.27 34.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.869 1.667 . . . . 0.0 113.068 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.339 0.8 OUTLIER 50.45 31.44 5.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.075 2.55 . . . . 0.0 115.546 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.88 -32.43 57.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.469 1.508 . . . . 0.0 111.9 165.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -117.28 140.3 49.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 108.978 -174.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.3 m -85.77 156.88 20.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.922 0.889 . . . . 0.0 113.262 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -53.99 -50.65 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.524 1.53 . . . . 0.0 111.516 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -78.06 -25.66 47.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -67.21 -43.11 82.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.267 0.627 . . . . 0.0 110.638 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -63.07 -30.28 71.47 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.184 -0.948 . . . . 0.0 112.519 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.48 -41.26 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.289 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -23.77 62.54 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.52 -27.81 23.77 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.817 1.247 . . . . 0.0 113.078 172.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tp -68.83 -47.27 66.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.763 0.825 . . . . 0.0 110.808 170.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -68.82 140.74 91.79 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.194 1.398 . . . . 0.0 110.561 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.56 151.11 77.88 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.521 2.148 . . . . 0.0 111.536 171.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.85 -9.78 53.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -168.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -98.79 -5.36 31.35 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.431 1.892 . . . . 0.0 113.931 172.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.4 169.28 54.32 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.31 1.433 . . . . 0.0 115.225 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.46 -1.84 85.52 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.329 1.442 . . . . 0.0 116.246 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.31 -145.67 33.52 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 118.95 1.375 . . . . 0.0 113.26 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 m -55.19 131.23 44.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 113.664 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.87 161.28 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.274 1.416 . . . . 0.0 114.075 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.98 -8.24 84.35 Favored Glycine 0 CA--C 1.543 1.782 0 C-N-CA 124.847 1.213 . . . . 0.0 115.739 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.3 177.2 51.13 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.67 1.129 . . . . 0.0 114.812 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -70.13 151.37 45.52 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.149 0.98 . . . . 0.0 112.919 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.297 26.1 ptt? 43.58 47.66 6.3 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.121 1.768 . . . . 0.0 114.429 -174.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.78 152.33 45.73 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.517 -0.739 . . . . 0.0 111.917 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.58 -36.28 64.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.816 0.847 . . . . 0.0 113.017 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -69.06 -39.72 78.96 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.932 1.242 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.97 -41.28 95.59 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.579 0.752 . . . . 0.0 110.808 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.01 -48.24 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.294 1.038 . . . . 0.0 110.695 174.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.59 -44.93 96.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.005 0.82 . . . . 0.0 111.808 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.6 m -56.55 -48.37 77.43 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.695 0.679 . . . . 0.0 111.668 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.12 -33.78 75.14 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.97 -41.81 77.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.708 0.803 . . . . 0.0 112.307 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -71.77 -33.4 68.6 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.737 -0.602 . . . . 0.0 112.456 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.75 -14.75 61.61 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.559 1.144 . . . . 0.0 113.273 172.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.88 8.18 87.75 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.103 1.335 . . . . 0.0 114.817 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.6 -14.43 82.11 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.846 1.213 . . . . 0.0 114.416 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tt -131.91 135.96 47.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.617 1.967 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.3 158.5 19.05 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 0.0 113.212 -172.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -57.0 -40.0 75.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.991 -1.068 . . . . 0.0 112.927 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.74 92.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.382 0.673 . . . . 0.0 112.15 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.15 73.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.924 0.889 . . . . 0.0 111.518 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -49.37 77.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.004 0.82 . . . . 0.0 111.099 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.37 -38.39 86.82 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.374 -0.829 . . . . 0.0 112.558 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -59.17 5.14 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.842 0.746 . . . . 0.0 111.293 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.48 -36.73 81.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.481 1.113 . . . . 0.0 112.905 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.13 -33.27 73.19 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.755 0.822 . . . . 0.0 112.56 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.46 -2.33 45.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.78 18.73 76.77 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.331 0.967 . . . . 0.0 114.815 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -102.93 157.28 17.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.787 2.035 . . . . 0.0 112.019 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.4 p -85.12 146.77 46.08 Favored Pre-proline 0 N--CA 1.471 0.625 0 C-N-CA 124.148 0.979 . . . . 0.0 111.851 167.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -76.06 166.9 27.07 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.22 2.613 . . . . 0.0 112.105 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -136.53 159.79 40.74 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.226 1.41 . . . . 0.0 112.221 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 165.19 27.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.529 1.531 . . . . 0.0 112.137 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 47.13 62.84 11.15 Favored Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 126.08 1.752 . . . . 0.0 114.186 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.05 15.95 1.43 Allowed 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 124.25 3.3 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -145.39 152.18 49.31 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.67 1.988 . . . . 0.0 112.399 -172.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 C--O 1.253 1.264 0 C-N-CA 123.899 3.066 . . . . 0.0 112.862 177.351 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 CA-C-O 119.701 -0.5 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.94 160.38 49.56 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.809 3.006 . . . . 0.0 113.18 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.23 -74.76 0.19 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.049 1.309 . . . . 0.0 111.305 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -75.56 -18.38 59.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.209 1.004 . . . . 0.0 112.915 171.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -138.2 163.87 30.63 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.345 1.858 . . . . 0.0 110.419 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -76.91 161.9 28.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.977 1.311 . . . . 0.0 113.43 -175.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.49 -172.55 42.99 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.207 1.384 . . . . 0.0 112.89 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 153.85 42.54 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.71 179.7 48.19 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.004 1.288 . . . . 0.0 113.493 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.79 149.06 73.67 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.19 162.58 41.25 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.342 2.694 . . . . 0.0 111.823 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -73.77 154.17 39.68 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.361 -0.837 . . . . 0.0 111.736 167.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.3 -26.49 52.28 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.526 -0.734 . . . . 0.0 112.453 165.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.64 63.8 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.94 0.896 . . . . 0.0 113.046 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -71.92 -39.86 69.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.613 0.765 . . . . 0.0 111.571 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -65.64 -50.7 64.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.102 0.961 . . . . 0.0 111.004 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.79 -38.5 82.08 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.913 0.779 . . . . 0.0 112.693 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.17 95.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.275 0.63 . . . . 0.0 111.952 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.94 -48.54 52.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.145 0.978 . . . . 0.0 111.529 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.44 -43.91 84.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.582 1.553 . . . . 0.0 112.087 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -63.57 -29.13 70.43 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.615 -0.678 . . . . 0.0 112.276 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -36.34 64.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.605 0.762 . . . . 0.0 112.156 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -78.29 -33.98 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.627 1.103 . . . . 0.0 112.749 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -68.78 -18.67 64.24 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -99.23 9.59 43.1 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.177 1.391 . . . . 0.0 112.74 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.05 20.71 9.86 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.193 1.797 . . . . 0.0 114.642 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -81.23 -27.27 35.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.118 0.967 . . . . 0.0 111.979 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.609 HD13 ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -125.28 159.75 30.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.706 2.002 . . . . 0.0 109.297 -179.397 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.609 ' H ' HD13 ' A' ' 28' ' ' LEU . 50.0 m -116.84 158.29 24.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.827 1.651 . . . . 0.0 112.083 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -51.04 -51.86 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.311 1.444 . . . . 0.0 111.234 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.39 -30.32 61.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -75.15 -25.56 58.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.311 1.044 . . . . 0.0 112.105 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 -39.04 51.91 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.266 -0.896 . . . . 0.0 111.786 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.98 -41.4 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.953 0.901 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -67.29 -26.47 66.56 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -86.81 -32.96 20.04 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.471 1.108 . . . . 0.0 112.52 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -78.91 -34.48 44.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.426 1.091 . . . . 0.0 113.27 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.9 m -66.53 126.55 92.38 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 123.749 0.82 . . . . 0.0 111.09 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -73.29 143.18 34.84 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.252 2.635 . . . . 0.0 112.496 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.48 -19.6 35.51 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -107.7 -3.3 19.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.664 1.585 . . . . 0.0 114.026 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.65 132.78 22.72 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.864 0.745 . . . . 0.0 112.685 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.89 158.08 42.24 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.639 1.114 . . . . 0.0 113.691 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.07 114.69 3.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.05 0.834 . . . . 0.0 111.932 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -156.1 169.02 25.45 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.464 1.505 . . . . 0.0 112.937 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.78 174.7 47.02 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.522 1.534 . . . . 0.0 114.934 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.59 7.9 71.17 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.973 1.273 . . . . 0.0 115.871 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.75 -154.76 42.12 Favored Glycine 0 CA--C 1.539 1.537 0 CA-C-N 118.553 1.177 . . . . 0.0 113.722 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 t 61.11 169.85 0.1 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.251 1.82 . . . . 0.0 113.931 -166.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.8 mtt 49.65 44.99 24.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.291 1.836 . . . . 0.0 113.128 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -71.94 141.84 49.45 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.531 -0.731 . . . . 0.0 110.97 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.82 79.97 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 112.435 -173.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.029 . . . . 0.0 110.899 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.19 -40.29 95.58 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.054 0.941 . . . . 0.0 111.856 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.73 -49.4 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.83 0.852 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.02 -37.93 89.14 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.02 -0.514 . . . . 0.0 111.662 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.6 m -62.81 -45.48 92.43 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.11 0.868 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -66.78 -43.99 82.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.742 0.701 . . . . 0.0 112.27 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.41 -44.9 95.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.272 1.029 . . . . 0.0 111.826 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.0 -33.42 72.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.29 -11.19 59.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.771 1.228 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.47 10.86 83.95 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.614 1.102 . . . . 0.0 114.302 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.83 2.53 87.35 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.221 1.867 . . . . 0.0 114.704 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 tp -147.42 138.47 23.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.824 2.049 . . . . 0.0 110.057 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.97 163.06 27.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.487 -0.758 . . . . 0.0 111.515 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -62.17 -41.25 98.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.266 -0.896 . . . . 0.0 111.958 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -37.62 88.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.059 0.544 . . . . 0.0 111.88 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -40.52 63.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.312 0.645 . . . . 0.0 112.016 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.24 81.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.625 0.77 . . . . 0.0 111.481 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.02 -42.6 94.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.888 0.475 . . . . 0.0 111.572 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.99 50.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.622 0.769 . . . . 0.0 112.515 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -35.31 80.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 112.273 -177.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.4 -35.0 75.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.054 0.843 . . . . 0.0 112.574 172.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.98 -1.68 48.98 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.097 1.359 . . . . 0.0 114.222 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.09 24.74 63.3 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 124.901 1.238 . . . . 0.0 115.395 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -122.04 166.43 14.52 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.575 1.95 . . . . 0.0 111.831 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.2 p -79.42 150.82 74.19 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 124.108 0.963 . . . . 0.0 112.637 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -55.97 144.5 78.45 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.907 3.072 . . . . 0.0 115.031 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.91 164.01 19.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.984 1.314 . . . . 0.0 112.983 177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.31 157.34 44.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.648 1.579 . . . . 0.0 111.857 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.03 130.56 66.07 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 123.383 0.673 . . . . 0.0 111.085 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.23 40.33 0.93 Allowed 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 124.901 3.734 . . . . 0.0 113.332 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -75.69 162.54 71.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.77 1.628 . . . . 0.0 112.935 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--O 1.253 1.239 0 C-N-CA 123.582 2.855 . . . . 0.0 113.23 162.45 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 112.297 -0.321 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.0 148.3 85.83 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.095 3.197 . . . . 0.0 114.33 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.34 -157.74 33.39 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.343 1.449 . . . . 0.0 113.704 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.0 m -114.77 139.07 50.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 110.459 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 84.9 m-85 -126.91 110.75 13.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.086 0.954 . . . . 0.0 111.295 -164.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' TYR . 63.8 m -143.17 144.77 32.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 128.463 2.705 . . . . 0.0 110.719 0.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.66 167.51 43.52 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.854 1.216 . . . . 0.0 113.476 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.17 149.01 41.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 112.756 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.41 115.96 4.57 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.947 0.784 . . . . 0.0 112.069 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.67 143.71 33.38 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.913 1.685 . . . . 0.0 111.007 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.37 149.21 44.59 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.257 2.638 . . . . 0.0 112.718 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -72.44 153.38 41.43 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.42 0.688 . . . . 0.0 111.461 166.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -54.64 -28.45 47.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.29 0.636 . . . . 0.0 111.896 166.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 -31.46 44.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 113.243 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.83 -40.22 87.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.241 0.543 . . . . 0.0 111.461 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 mt -65.84 -48.3 72.08 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.942 0.897 . . . . 0.0 111.226 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.94 -38.71 76.46 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.106 0.866 . . . . 0.0 112.94 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.54 75.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.913 0.885 . . . . 0.0 111.874 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.16 -34.96 75.79 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.218 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.9 -41.65 70.99 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.834 1.654 . . . . 0.0 112.323 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.21 -34.28 74.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.404 1.002 . . . . 0.0 112.612 169.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.13 68.75 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.65 -0.656 . . . . 0.0 111.96 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -81.66 -32.59 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 120.849 -1.157 . . . . 0.0 112.036 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -66.65 -32.19 73.36 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 112.386 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.55 9.78 22.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.815 1.246 . . . . 0.0 113.414 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 t30 59.7 27.1 16.29 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.656 1.982 . . . . 0.0 114.926 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -87.36 -32.14 19.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.005 1.322 . . . . 0.0 112.353 172.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 138.64 47.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.408 1.483 . . . . 0.0 110.088 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -87.29 154.94 20.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.219 1.008 . . . . 0.0 112.625 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -54.89 -49.1 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.695 1.198 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.59 -26.27 57.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.284 -0.885 . . . . 0.0 113.279 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -70.8 -39.61 73.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.662 -0.648 . . . . 0.0 110.151 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.84 69.56 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.853 -1.155 . . . . 0.0 112.727 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.13 -43.61 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.449 0.7 . . . . 0.0 111.118 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 -26.94 64.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.797 1.18 . . . . 0.0 113.053 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -81.66 -24.01 36.57 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.704 1.202 . . . . 0.0 113.261 172.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -73.64 -50.17 22.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.076 0.853 . . . . 0.0 110.75 169.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 m -143.16 122.85 7.69 Favored Pre-proline 0 N--CA 1.473 0.704 0 C-N-CA 126.243 1.817 . . . . 0.0 110.682 -169.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -64.3 92.42 0.18 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.609 2.872 . . . . 0.0 112.365 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -74.15 145.07 44.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.297 1.039 . . . . 0.0 113.416 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -123.17 -4.32 8.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.473 1.909 . . . . 0.0 114.049 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.89 169.26 50.91 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.036 1.303 . . . . 0.0 114.702 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.55 165.42 36.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.063 1.316 . . . . 0.0 113.198 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -162.67 50.17 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 123.818 0.723 . . . . 0.0 113.694 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.6 m -69.34 135.58 50.57 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.339 1.055 . . . . 0.0 112.804 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.93 174.42 36.14 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.095 1.331 . . . . 0.0 113.424 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.46 178.76 40.89 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.844 1.211 . . . . 0.0 113.819 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.95 156.37 19.41 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.745 1.164 . . . . 0.0 113.399 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -70.94 137.13 48.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 111.668 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.2 mtt 48.78 43.03 20.85 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.567 1.547 . . . . 0.0 114.025 -175.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.67 155.88 38.19 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.358 -0.838 . . . . 0.0 109.991 153.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.43 -34.23 61.02 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.007 -1.058 . . . . 0.0 113.013 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.54 -51.57 68.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.962 0.905 . . . . 0.0 110.78 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.15 -39.85 94.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.766 0.826 . . . . 0.0 111.613 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.7 -43.69 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.016 0.926 . . . . 0.0 111.275 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.43 -42.39 98.67 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.683 0.793 . . . . 0.0 112.199 171.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.4 m -64.76 -44.55 89.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.615 0.766 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.987 1.315 . . . . 0.0 111.885 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.73 -44.49 85.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.659 0.784 . . . . 0.0 112.526 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.98 -32.96 71.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.805 0.73 . . . . 0.0 112.586 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.34 -14.38 61.28 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.89 1.276 . . . . 0.0 113.486 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.26 12.69 81.89 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.017 1.294 . . . . 0.0 114.451 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.8 89.09 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 124.707 1.146 . . . . 0.0 114.557 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.27 136.41 39.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.887 1.675 . . . . 0.0 110.687 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.71 155.72 33.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.579 0.752 . . . . 0.0 111.897 172.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -60.62 -40.05 90.44 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.299 -0.876 . . . . 0.0 112.598 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.3 88.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.599 0.76 . . . . 0.0 112.414 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.85 -38.85 66.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 111.982 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.56 84.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.8 -43.74 94.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.555 0.742 . . . . 0.0 112.279 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -52.09 66.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.91 0.884 . . . . 0.0 112.29 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mp -70.93 -35.58 72.3 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.97 1.308 . . . . 0.0 112.396 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.58 -34.5 77.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.245 0.93 . . . . 0.0 112.563 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.44 -0.3 25.43 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 170.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.25 5.27 81.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.419 1.485 . . . . 0.0 115.561 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -88.73 154.27 20.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.933 1.693 . . . . 0.0 112.024 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.3 p -77.51 144.64 70.3 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 123.284 0.634 . . . . 0.0 110.933 159.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.74 162.28 22.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.384 2.723 . . . . 0.0 113.534 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.09 158.15 44.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.067 1.347 . . . . 0.0 112.67 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.49 163.61 27.39 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.711 1.205 . . . . 0.0 112.843 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 142.22 32.72 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 125.265 1.426 . . . . 0.0 111.45 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.13 68.01 8.41 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.551 3.5 . . . . 0.0 111.803 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -136.13 135.01 20.58 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 126.008 1.723 . . . . 0.0 110.193 -175.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.254 1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 112.991 173.583 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 CA-C-O 119.865 -0.408 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -67.04 -17.94 51.4 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 124.049 3.166 . . . . 0.0 115.975 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.75 177.8 50.26 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.775 1.179 . . . . 0.0 114.037 -175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -70.8 154.43 41.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.721 1.209 . . . . 0.0 113.836 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -138.59 140.77 39.11 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.744 1.618 . . . . 0.0 110.663 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -141.39 163.39 33.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.175 1.39 . . . . 0.0 112.607 -171.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.78 176.01 45.7 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.777 1.18 . . . . 0.0 113.271 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.6 -30.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 128.892 2.877 . . . . 0.0 118.339 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.21 -167.49 51.66 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.136 1.35 . . . . 0.0 114.507 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.5 160.71 71.99 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.616 1.166 . . . . 0.0 113.233 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.43 133.04 49.61 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.974 2.449 . . . . 0.0 113.754 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.8 p -79.48 164.66 23.76 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.023 1.329 . . . . 0.0 114.204 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.49 -24.2 54.49 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 166.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.43 30.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.913 0.885 . . . . 0.0 113.108 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.99 -35.87 81.76 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.884 0.874 . . . . 0.0 112.074 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.89 -49.8 66.75 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.431 1.092 . . . . 0.0 111.358 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.7 -37.96 74.41 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.77 87.94 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.583 0.753 . . . . 0.0 112.335 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.94 -38.23 37.7 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.586 1.154 . . . . 0.0 111.93 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.81 -36.7 84.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.635 1.174 . . . . 0.0 112.238 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -60.91 -33.71 73.56 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 112.811 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 -32.98 63.87 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.663 -0.648 . . . . 0.0 112.118 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -83.08 -31.83 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.228 -0.92 . . . . 0.0 111.818 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.26 -32.76 72.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.456 1.102 . . . . 0.0 112.482 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -97.8 15.9 22.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.542 1.537 . . . . 0.0 113.156 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 54.99 26.04 7.57 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.529 2.332 . . . . 0.0 116.195 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -83.57 -25.88 30.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.934 1.294 . . . . 0.0 112.654 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -122.38 135.64 54.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.948 1.699 . . . . 0.0 109.272 -175.769 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 m -83.91 157.15 22.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.124 0.97 . . . . 0.0 112.961 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.99 -49.43 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.24 -31.7 67.86 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.184 -0.947 . . . . 0.0 112.568 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -66.71 -44.18 82.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.037 0.935 . . . . 0.0 110.508 173.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -64.0 -27.6 69.23 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.383 -0.823 . . . . 0.0 112.724 177.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.43 -38.72 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.96 0.904 . . . . 0.0 111.467 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -28.76 60.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.125 -0.984 . . . . 0.0 113.438 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.89 -17.77 46.07 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.639 1.176 . . . . 0.0 113.712 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.53 -41.43 60.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.535 1.534 . . . . 0.0 113.627 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m 52.64 72.57 1.14 Allowed Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 124.859 1.264 . . . . 0.0 110.81 -161.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.27 138.66 86.02 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.589 2.859 . . . . 0.0 113.584 -172.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -97.56 -12.9 22.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.633 1.173 . . . . 0.0 114.105 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 60.95 -52.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 129.737 3.215 . . . . 0.0 115.768 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.73 -133.91 49.82 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.5 2.0 . . . . 0.0 114.841 171.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.01 -136.12 46.06 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.768 0.699 . . . . 0.0 112.135 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.56 45.64 2.43 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.765 1.174 . . . . 0.0 113.439 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m 53.4 52.21 13.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.913 1.685 . . . . 0.0 112.221 -170.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.5 -172.15 19.12 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 126.521 2.01 . . . . 0.0 113.058 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.78 -171.51 53.5 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.342 0.972 . . . . 0.0 114.616 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.21 8.98 59.79 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.899 1.238 . . . . 0.0 115.988 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m 52.65 34.11 15.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 126.259 1.824 . . . . 0.0 114.783 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.2 mtm -90.53 116.79 28.7 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.221 1.408 . . . . 0.0 110.556 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -141.33 143.64 34.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.405 1.482 . . . . 0.0 110.183 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.44 -30.9 70.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 112.99 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -62.43 -52.62 62.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.197 0.908 . . . . 0.0 110.459 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.63 -41.2 97.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.471 0.709 . . . . 0.0 111.456 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.18 -47.68 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.278 1.031 . . . . 0.0 111.191 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.62 -39.36 94.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.658 0.663 . . . . 0.0 111.69 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.2 m -62.45 -45.16 94.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.307 0.643 . . . . 0.0 111.101 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.47 -41.39 84.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.703 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.51 -44.61 95.83 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.874 0.761 . . . . 0.0 111.48 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.98 -37.12 75.65 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.907 -0.495 . . . . 0.0 112.127 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.88 -17.94 62.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.62 75.38 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.859 1.218 . . . . 0.0 114.349 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.1 1.85 83.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.157 1.837 . . . . 0.0 114.892 173.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -142.96 139.58 30.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.093 1.757 . . . . 0.0 110.653 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.0 154.02 39.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.575 0.75 . . . . 0.0 112.26 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -60.09 -41.31 92.23 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 112.254 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.32 99.06 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.39 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.12 82.53 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.767 -0.583 . . . . 0.0 111.643 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.13 78.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.324 -0.86 . . . . 0.0 111.423 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.26 -39.53 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.25 -0.906 . . . . 0.0 112.579 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.26 -55.08 27.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.574 0.749 . . . . 0.0 112.315 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.9 -31.18 68.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.812 1.245 . . . . 0.0 112.883 -174.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -34.41 73.26 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.113 0.87 . . . . 0.0 112.818 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.9 59.95 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 168.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.17 17.79 70.96 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.036 1.303 . . . . 0.0 114.945 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -97.48 156.42 16.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.08 1.352 . . . . 0.0 111.241 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.9 p -76.76 146.05 75.67 Favored Pre-proline 0 N--CA 1.475 0.799 0 O-C-N 121.735 -0.603 . . . . 0.0 111.491 170.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -62.77 146.19 95.04 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.794 2.329 . . . . 0.0 113.518 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.91 155.82 38.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.76 0.824 . . . . 0.0 112.309 172.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.01 156.18 43.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.929 1.292 . . . . 0.0 112.34 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.99 148.16 28.97 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.291 1.436 . . . . 0.0 111.071 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.38 13.79 2.45 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 124.649 3.566 . . . . 0.0 114.652 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -73.12 150.0 89.78 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.023 1.729 . . . . 0.0 112.713 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--O 1.254 1.283 0 C-N-CA 123.836 3.024 . . . . 0.0 113.11 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 CA-C-O 119.838 -0.423 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -63.66 159.95 38.69 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.698 2.932 . . . . 0.0 113.398 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 128.14 42.4 Favored Glycine 0 CA--C 1.536 1.396 0 O-C-N 121.282 -0.886 . . . . 0.0 113.006 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 m 53.42 29.73 9.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.25 139.68 58.1 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.404 1.082 . . . . 0.0 113.065 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -147.05 15.1 1.17 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.783 1.233 . . . . 0.0 113.273 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.85 139.18 34.31 Favored Glycine 0 CA--C 1.538 1.479 0 O-C-N 120.945 -1.097 . . . . 0.0 113.954 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.18 162.83 39.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.585 1.554 . . . . 0.0 111.605 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.77 170.33 43.04 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.002 0.81 . . . . 0.0 113.84 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.22 160.29 49.41 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.325 1.85 . . . . 0.0 111.475 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.86 129.31 31.5 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.409 2.739 . . . . 0.0 112.216 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t -151.38 134.28 15.76 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.097 1.359 . . . . 0.0 111.103 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.63 -29.76 69.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.31 39.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.795 0.838 . . . . 0.0 112.293 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -70.26 -34.59 72.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.891 0.476 . . . . 0.0 112.106 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.88 -47.58 71.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 123.607 0.763 . . . . 0.0 111.33 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.04 -39.84 79.43 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.572 1.078 . . . . 0.0 112.664 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.03 79.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.646 0.779 . . . . 0.0 112.457 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.89 -47.67 83.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.177 1.391 . . . . 0.0 111.299 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.55 -44.18 83.09 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.816 1.646 . . . . 0.0 111.6 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -57.39 -34.87 69.32 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.127 -0.983 . . . . 0.0 112.028 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.47 -33.94 60.87 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.03 -31.34 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.959 1.254 . . . . 0.0 112.466 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -62.91 -28.84 70.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.349 1.06 . . . . 0.0 112.263 169.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -96.33 11.33 35.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.528 1.931 . . . . 0.0 113.596 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 55.16 25.75 7.56 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.959 2.504 . . . . 0.0 116.125 177.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -94.22 -14.87 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.602 1.561 . . . . 0.0 114.127 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 141.75 51.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.008 1.723 . . . . 0.0 108.719 172.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -89.94 156.38 18.48 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.73 0.812 . . . . 0.0 112.931 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.45 -52.24 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.419 1.488 . . . . 0.0 111.71 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -79.12 -21.81 46.07 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.628 -0.67 . . . . 0.0 112.415 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -72.68 -40.67 66.09 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.244 -0.91 . . . . 0.0 110.893 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.14 69.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.231 -0.918 . . . . 0.0 112.335 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.27 -45.77 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.871 170.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -27.95 68.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.224 1.374 . . . . 0.0 113.62 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.0 -14.5 59.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.479 1.112 . . . . 0.0 113.524 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -56.92 3.08 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.45 1.5 . . . . 0.0 109.846 171.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 m -138.44 115.45 9.08 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 127.14 2.176 . . . . 0.0 109.131 176.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.85 138.89 78.16 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.486 2.79 . . . . 0.0 114.856 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -107.94 164.54 12.18 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.855 1.662 . . . . 0.0 113.199 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -124.91 173.4 8.66 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.883 2.073 . . . . 0.0 111.048 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 154.03 38.84 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 124.372 0.987 . . . . 0.0 113.949 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.31 -178.53 53.61 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.579 1.085 . . . . 0.0 113.57 -169.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.93 157.62 51.53 Favored Glycine 0 CA--C 1.543 1.816 0 C-N-CA 124.131 0.872 . . . . 0.0 114.788 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.6 m -110.91 4.07 19.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.6 1.56 . . . . 0.0 114.119 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.5 -167.44 54.53 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.526 1.06 . . . . 0.0 115.219 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.97 -168.42 40.3 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 112.756 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.54 13.96 77.15 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.386 0.993 . . . . 0.0 114.429 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 t -154.11 168.79 25.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.134 2.173 . . . . 0.0 109.907 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 52.5 1.1 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.559 1.544 . . . . 0.0 113.382 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -69.42 158.57 34.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.484 1.513 . . . . 0.0 111.464 162.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.79 64.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.795 0.838 . . . . 0.0 112.642 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.77 -41.41 95.89 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.77 -35.35 67.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.747 0.703 . . . . 0.0 111.492 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.5 -45.65 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.999 0.919 . . . . 0.0 110.452 170.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -44.51 96.51 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 112.047 173.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -59.53 -47.14 86.7 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.835 0.743 . . . . 0.0 111.667 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -61.74 -36.51 81.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.816 1.246 . . . . 0.0 112.388 175.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -74.26 -40.23 62.48 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.341 1.056 . . . . 0.0 113.665 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -73.67 -32.67 64.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.403 -0.811 . . . . 0.0 112.309 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.38 -16.44 64.24 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.472 1.109 . . . . 0.0 113.072 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.52 5.88 88.03 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.596 1.094 . . . . 0.0 114.788 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.7 74.63 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 118.594 1.197 . . . . 0.0 113.721 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 tp -105.34 142.38 35.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.97 1.708 . . . . 0.0 110.99 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -85.56 158.76 20.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.05 0.94 . . . . 0.0 111.1 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttp-105 -66.46 -32.01 73.1 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.187 -0.945 . . . . 0.0 112.64 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.66 90.45 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.559 0.744 . . . . 0.0 112.108 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.45 86.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.872 0.869 . . . . 0.0 111.9 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.0 93.82 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.938 0.79 . . . . 0.0 111.869 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -61.89 -41.42 97.86 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.566 -0.709 . . . . 0.0 112.352 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.25 77.11 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.633 0.651 . . . . 0.0 111.021 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.08 -37.56 66.73 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.312 1.445 . . . . 0.0 112.671 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.13 -33.51 74.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.71 -2.62 33.85 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.12 7.57 87.63 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.212 1.386 . . . . 0.0 115.778 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.7 169.5 13.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.786 1.634 . . . . 0.0 112.452 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.8 p -73.99 154.97 88.76 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.981 0.912 . . . . 0.0 111.488 165.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.18 -172.93 0.1 OUTLIER 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.345 3.364 . . . . 0.0 114.986 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.88 17.61 10.11 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.515 1.926 . . . . 0.0 115.537 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.06 158.86 35.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.558 0.743 . . . . 0.0 110.951 158.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.66 136.21 15.27 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 124.116 0.967 . . . . 0.0 112.129 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.42 96.15 1.09 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.57 2.847 . . . . 0.0 110.383 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? 49.7 71.18 1.66 Allowed Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 126.638 1.975 . . . . 0.0 113.501 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.547 1.148 0 C-N-CA 123.797 2.998 . . . . 0.0 112.79 176.313 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 -23.66 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.598 2.865 . . . . 0.0 114.386 -175.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.14 -149.59 51.24 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.541 1.067 . . . . 0.0 113.88 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -142.24 148.25 37.81 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.594 1.557 . . . . 0.0 111.22 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -73.59 161.08 30.72 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.759 0.824 . . . . 0.0 112.797 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.8 t -75.33 165.34 25.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.041 1.337 . . . . 0.0 113.165 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.37 -175.74 42.67 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.005 1.288 . . . . 0.0 114.511 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.58 57.56 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 119.076 -2.426 . . . . 0.0 114.293 -0.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.16 -166.8 54.88 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.347 0.975 . . . . 0.0 113.401 -173.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 156.99 84.36 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 123.706 0.802 . . . . 0.0 113.129 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -62.09 115.81 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.008 2.472 . . . . 0.0 112.503 171.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -74.95 142.24 43.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.271 1.028 . . . . 0.0 111.228 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.46 -27.56 48.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.684 0.794 . . . . 0.0 113.139 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.98 51.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.182 0.993 . . . . 0.0 113.21 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -76.53 -31.43 57.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.83 -48.71 75.72 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.28 0.632 . . . . 0.0 111.044 170.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.95 -38.62 76.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.244 0.929 . . . . 0.0 112.364 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.43 70.0 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.634 0.774 . . . . 0.0 112.165 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD21 ' HB1' ' A' ' 33' ' ' ALA . 8.8 tt -62.14 -41.69 98.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.419 1.487 . . . . 0.0 112.14 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.68 -44.17 71.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.385 1.874 . . . . 0.0 111.819 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -59.55 -34.99 73.36 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.163 -0.96 . . . . 0.0 112.201 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.47 -33.8 65.03 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.573 -0.705 . . . . 0.0 112.759 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.31 -31.6 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.759 -1.213 . . . . 0.0 112.519 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -65.71 -27.32 68.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.933 0.893 . . . . 0.0 113.119 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -96.85 11.96 33.89 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.959 1.304 . . . . 0.0 113.239 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 t30 59.47 27.11 16.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.728 2.011 . . . . 0.0 115.424 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -90.73 -22.51 21.05 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.261 1.425 . . . . 0.0 113.273 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -123.32 139.93 53.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.604 1.962 . . . . 0.0 109.277 -178.153 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.3 m -89.28 158.48 17.82 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.193 0.997 . . . . 0.0 113.448 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.6 mm -56.99 -50.04 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.223 -0.923 . . . . 0.0 111.08 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.91 -35.72 82.07 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.419 -0.801 . . . . 0.0 112.446 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -67.6 -44.95 76.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.846 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -63.68 -24.89 67.97 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.144 -0.972 . . . . 0.0 112.806 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -78.44 -43.07 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.152 0.981 . . . . 0.0 111.487 171.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -30.02 66.28 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.954 -1.092 . . . . 0.0 112.79 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -79.04 -18.46 53.5 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.435 1.094 . . . . 0.0 113.391 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.3 tp -74.43 -37.57 63.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.944 0.898 . . . . 0.0 112.324 172.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 m -61.64 118.91 42.52 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 124.369 1.068 . . . . 0.0 112.014 -164.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -81.99 171.92 12.45 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.874 3.049 . . . . 0.0 112.685 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -70.98 -22.15 62.23 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -111.44 136.83 50.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.315 1.846 . . . . 0.0 111.423 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.93 -25.1 74.66 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -173.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.03 -155.28 49.0 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.382 0.991 . . . . 0.0 114.436 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.34 -178.92 48.1 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.619 1.104 . . . . 0.0 113.616 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.9 m 52.4 42.48 31.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.432 1.493 . . . . 0.0 114.669 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.37 164.1 37.96 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.703 1.144 . . . . 0.0 114.693 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 37.66 1.14 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.103 1.811 . . . . 0.0 116.274 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.43 -124.86 13.55 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-N 118.729 1.264 . . . . 0.0 112.829 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 m -80.77 46.98 0.92 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.521 . . . . 0.0 113.303 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.1 mtt -100.68 124.0 45.67 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.265 1.426 . . . . 0.0 109.715 170.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -138.19 132.32 31.67 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.879 1.672 . . . . 0.0 111.117 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.93 -32.95 71.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -62.73 -50.95 69.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.391 1.076 . . . . 0.0 111.04 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.08 -42.76 99.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.694 1.197 . . . . 0.0 111.459 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.26 -47.29 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.374 1.07 . . . . 0.0 110.851 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.91 -39.42 94.49 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.45 0.7 . . . . 0.0 112.132 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -63.31 -46.83 84.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.772 0.829 . . . . 0.0 110.837 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -65.59 -39.73 91.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.213 0.605 . . . . 0.0 112.143 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.09 -47.64 82.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.253 0.621 . . . . 0.0 111.813 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.29 -34.75 78.06 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -77.77 -3.05 39.38 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 9.86 86.19 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.691 1.139 . . . . 0.0 115.644 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.02 -9.36 86.76 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.185 1.374 . . . . 0.0 114.188 174.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.5 tp -131.98 138.47 48.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.308 1.843 . . . . 0.0 110.392 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.22 154.01 31.43 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 0.0 112.058 174.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -63.7 -36.02 82.46 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.223 -0.923 . . . . 0.0 112.466 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.51 97.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.115 0.966 . . . . 0.0 112.61 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.1 -38.94 72.37 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.533 0.733 . . . . 0.0 111.506 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.6 84.98 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.583 -0.698 . . . . 0.0 111.434 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.06 -43.67 91.76 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.835 0.743 . . . . 0.0 111.51 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.6 -54.36 46.29 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.465 0.706 . . . . 0.0 112.202 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -67.96 -34.54 76.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.052 1.341 . . . . 0.0 112.387 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.0 -33.79 70.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.766 0.826 . . . . 0.0 112.613 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.03 22.34 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 169.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.01 22.27 71.9 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.646 1.117 . . . . 0.0 115.215 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -126.1 159.31 33.18 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.946 1.699 . . . . 0.0 112.316 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.8 p -75.43 146.24 80.68 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 123.242 0.617 . . . . 0.0 111.86 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.73 148.08 51.95 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.078 2.518 . . . . 0.0 111.791 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.44 149.81 36.8 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.116 0.966 . . . . 0.0 113.219 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.03 157.24 25.52 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.524 1.13 . . . . 0.0 112.897 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.8 56.31 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 123.687 0.795 . . . . 0.0 111.541 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -82.35 17.55 1.57 Allowed 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 124.213 3.275 . . . . 0.0 114.252 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -137.8 142.34 36.07 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.799 2.039 . . . . 0.0 111.022 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo . . . . . 0 C--O 1.253 1.242 0 C-N-CA 123.897 3.065 . . . . 0.0 114.678 174.221 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.66 153.89 68.83 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.857 3.038 . . . . 0.0 112.512 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.88 165.52 54.69 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 123.97 0.795 . . . . 0.0 113.803 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 m 52.31 39.54 27.43 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.628 1.571 . . . . 0.0 114.453 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -65.97 146.84 54.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.918 0.887 . . . . 0.0 112.699 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 t -63.42 131.67 48.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.93 -0.88 12.02 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.162 1.363 . . . . 0.0 116.467 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.23 -15.7 1.09 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.84 156.44 53.43 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 118.99 0.814 . . . . 0.0 114.142 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.28 152.66 95.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.413 1.085 . . . . 0.0 112.224 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.74 144.62 99.58 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.054 2.503 . . . . 0.0 111.517 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -149.34 149.51 30.99 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.225 1.01 . . . . 0.0 112.577 -169.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -56.67 -27.88 59.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.08 0.952 . . . . 0.0 112.962 167.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -33.66 57.52 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.827 0.739 . . . . 0.0 112.663 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.51 -34.93 67.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.996 0.919 . . . . 0.0 112.07 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.32 -47.89 63.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.9 0.88 . . . . 0.0 111.254 170.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.72 -39.73 71.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.716 0.806 . . . . 0.0 112.387 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 -30.23 66.77 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.69 -48.52 38.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 109.919 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -67.58 -39.99 84.87 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.425 1.49 . . . . 0.0 111.727 -174.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 p -61.85 -30.59 70.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.791 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.83 55.02 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.704 0.801 . . . . 0.0 111.74 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.51 -33.16 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.175 -0.953 . . . . 0.0 112.188 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -69.67 -19.59 63.59 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -108.32 18.79 20.64 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.185 1.794 . . . . 0.0 112.858 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 60.58 21.98 11.77 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.37 1.868 . . . . 0.0 115.255 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -85.23 -25.91 27.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.482 1.113 . . . . 0.0 112.524 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -130.46 151.29 51.1 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.418 1.887 . . . . 0.0 108.584 -177.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.428 ' H ' HD13 ' A' ' 28' ' ' LEU . 3.9 m -93.52 156.9 16.48 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.608 1.163 . . . . 0.0 112.936 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.6 -53.86 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.664 1.186 . . . . 0.0 110.477 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.39 -27.88 65.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -74.45 -42.31 59.31 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.781 0.832 . . . . 0.0 111.088 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -25.87 68.1 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 120.907 -1.121 . . . . 0.0 112.031 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.67 -43.01 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.326 1.05 . . . . 0.0 111.231 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -28.9 64.35 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.327 0.967 . . . . 0.0 113.348 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.57 -21.93 47.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.108 0.963 . . . . 0.0 113.226 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tp -83.51 -49.94 8.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.322 1.449 . . . . 0.0 112.129 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 m -74.88 125.43 89.43 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 123.438 0.695 . . . . 0.0 112.391 -160.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.99 149.46 32.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.17 2.58 . . . . 0.0 111.81 176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.41 -22.94 58.91 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -94.67 -17.26 22.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.277 1.431 . . . . 0.0 114.445 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.98 -167.52 26.08 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.513 1.054 . . . . 0.0 113.665 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.46 169.13 26.49 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.256 0.932 . . . . 0.0 114.682 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.82 -148.11 45.74 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.98 1.276 . . . . 0.0 114.651 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -80.27 -1.67 41.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.087 1.355 . . . . 0.0 114.148 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.37 -4.69 54.57 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.732 1.634 . . . . 0.0 115.831 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.2 4.69 64.31 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.191 1.377 . . . . 0.0 116.51 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.08 -124.86 37.65 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.067 1.433 . . . . 0.0 112.555 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 m -89.92 10.96 21.87 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.2 ttm -86.27 58.48 5.08 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.313 1.445 . . . . 0.0 111.987 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -74.93 138.42 42.34 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.735 1.614 . . . . 0.0 113.805 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.9 72.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.923 0.889 . . . . 0.0 113.19 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -60.94 -51.82 67.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 0.0 111.2 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.68 -41.45 90.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.294 1.038 . . . . 0.0 111.734 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.0 mt -62.54 -49.75 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.374 1.07 . . . . 0.0 111.339 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.5 -38.16 90.08 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.43 -0.794 . . . . 0.0 112.262 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.8 m -62.29 -45.38 93.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.558 0.617 . . . . 0.0 111.366 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -69.18 -40.23 78.25 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.493 0.588 . . . . 0.0 112.343 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.78 -46.36 89.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.941 0.896 . . . . 0.0 111.752 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.61 -35.43 72.97 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.17 -13.34 61.52 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.444 1.098 . . . . 0.0 113.516 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.08 11.76 83.28 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.686 1.136 . . . . 0.0 114.782 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.53 -9.74 86.78 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.176 1.369 . . . . 0.0 113.674 171.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -137.67 138.12 39.09 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.544 1.938 . . . . 0.0 110.143 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.56 156.67 29.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.837 0.855 . . . . 0.0 112.138 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -63.53 -35.82 81.73 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.957 -1.09 . . . . 0.0 112.739 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.65 94.64 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.809 0.844 . . . . 0.0 112.788 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.12 71.07 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.558 -0.714 . . . . 0.0 111.514 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.09 96.17 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.652 -0.655 . . . . 0.0 111.5 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.04 -43.33 95.44 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.37 59.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.537 0.608 . . . . 0.0 111.849 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -38.11 88.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.548 1.139 . . . . 0.0 112.105 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.56 -34.48 75.9 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.202 -0.936 . . . . 0.0 112.824 174.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.64 1.82 28.33 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.52 35.64 51.24 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 120.844 -1.16 . . . . 0.0 113.892 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -132.45 -176.13 3.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.672 2.389 . . . . 0.0 110.066 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 p -131.62 149.42 73.45 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 125.249 1.42 . . . . 0.0 111.218 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.98 153.09 73.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.33 2.687 . . . . 0.0 111.648 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.86 157.84 22.75 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.166 1.386 . . . . 0.0 112.258 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.35 8.65 15.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.178 1.391 . . . . 0.0 113.96 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.99 96.4 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 124.337 1.055 . . . . 0.0 112.387 -176.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -84.47 20.1 1.27 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 124.815 3.677 . . . . 0.0 113.746 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.59 156.69 78.3 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.704 2.001 . . . . 0.0 112.044 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.252 1.186 0 C-N-CA 123.894 3.063 . . . . 0.0 114.576 175.393 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.97 -14.7 15.19 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.92 3.08 . . . . 0.0 114.368 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.42 53.13 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.635 1.112 . . . . 0.0 114.669 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.4 p -96.33 173.63 7.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.823 1.649 . . . . 0.0 112.96 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -125.21 170.7 11.0 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.751 1.62 . . . . 0.0 111.673 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -131.91 172.55 12.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.136 1.374 . . . . 0.0 112.12 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.35 16.87 67.93 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.902 1.239 . . . . 0.0 114.588 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.03 158.28 35.11 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.808 1.243 . . . . 0.0 113.495 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.96 169.59 54.79 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.827 1.203 . . . . 0.0 115.125 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -78.83 163.59 59.81 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 125.548 1.539 . . . . 0.0 113.148 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -58.62 140.89 96.68 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.64 2.893 . . . . 0.0 113.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 m -74.47 127.45 33.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.403 1.081 . . . . 0.0 112.616 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -62.63 -29.11 70.37 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.79 0.836 . . . . 0.0 113.097 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.22 56.18 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.592 0.757 . . . . 0.0 112.617 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -35.67 69.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.676 0.79 . . . . 0.0 111.529 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.64 -46.88 77.54 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.283 1.033 . . . . 0.0 111.059 169.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.61 -37.02 80.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.019 0.827 . . . . 0.0 113.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.29 87.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.55 -48.05 73.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.275 1.03 . . . . 0.0 110.958 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.9 mt -66.75 -40.03 88.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.086 1.354 . . . . 0.0 111.976 -173.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.86 -32.04 72.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.135 0.879 . . . . 0.0 113.243 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.85 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.836 0.744 . . . . 0.0 111.955 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.16 -34.22 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 121.091 -1.005 . . . . 0.0 112.143 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 tpt85 -69.96 -27.61 64.87 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.19 12.5 22.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.273 1.429 . . . . 0.0 113.208 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.24 25.22 14.62 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.919 2.087 . . . . 0.0 115.101 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -83.18 -26.34 30.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.822 1.249 . . . . 0.0 112.419 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.15 148.0 49.5 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.694 1.998 . . . . 0.0 108.497 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -91.46 165.16 13.53 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.282 -1.511 . . . . 0.0 113.452 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.87 -47.03 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.024 0.93 . . . . 0.0 110.093 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.07 -33.06 61.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.515 -0.74 . . . . 0.0 111.795 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.65 -40.22 66.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.538 0.735 . . . . 0.0 111.722 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.5 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.211 -1.556 . . . . 0.0 112.26 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.96 -44.96 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.385 1.074 . . . . 0.0 110.688 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -70.46 -28.78 65.28 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.484 1.038 . . . . 0.0 113.738 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.75 -8.67 59.39 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.481 1.112 . . . . 0.0 113.31 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tt -113.95 -36.46 4.78 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.691 1.596 . . . . 0.0 112.81 -173.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.1 m -77.41 129.61 76.95 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.204 1.002 . . . . 0.0 111.657 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -70.54 151.03 64.37 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.266 2.644 . . . . 0.0 112.378 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -91.24 -5.56 54.63 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -123.3 149.79 44.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.786 2.034 . . . . 0.0 110.696 172.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.61 -173.93 32.84 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.288 0.947 . . . . 0.0 114.319 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.06 94.16 1.22 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.265 0.936 . . . . 0.0 112.475 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.15 -19.08 79.97 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.267 0.937 . . . . 0.0 115.026 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.2 p -152.36 158.52 42.82 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.772 1.629 . . . . 0.0 112.658 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.19 -134.29 8.45 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 126.198 1.856 . . . . 0.0 111.442 171.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 153.31 23.47 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.444 1.021 . . . . 0.0 112.761 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.48 21.48 70.64 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 124.196 0.903 . . . . 0.0 114.974 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -146.81 -173.93 4.35 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.993 1.717 . . . . 0.0 111.812 -172.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -76.17 70.98 2.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.617 1.567 . . . . 0.0 111.169 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.58 166.12 24.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.18 1.392 . . . . 0.0 111.724 160.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.19 64.43 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -59.6 -52.86 63.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.127 0.971 . . . . 0.0 111.213 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -58.65 -41.82 86.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.54 1.136 . . . . 0.0 111.715 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.94 -51.52 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.394 1.078 . . . . 0.0 111.163 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.36 -37.16 86.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.552 -0.718 . . . . 0.0 112.357 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.4 m -61.83 -47.54 84.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.616 0.767 . . . . 0.0 111.028 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -67.55 -40.32 84.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -62.89 -46.59 87.09 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.663 0.785 . . . . 0.0 112.589 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.38 -33.82 73.62 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.12 -11.95 60.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.454 1.101 . . . . 0.0 113.64 173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.73 9.14 85.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.056 1.313 . . . . 0.0 115.116 -177.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.48 -8.28 87.66 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.337 1.446 . . . . 0.0 114.209 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 tp -135.21 140.78 45.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.357 1.863 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.04 162.57 16.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -54.16 -47.42 71.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.811 1.244 . . . . 0.0 112.775 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.99 93.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.888 0.875 . . . . 0.0 112.248 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.29 65.86 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 0.0 111.512 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.28 82.07 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.974 -1.079 . . . . 0.0 112.119 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.77 -41.93 95.5 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.776 -0.578 . . . . 0.0 112.171 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.13 -50.01 62.83 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.711 0.687 . . . . 0.0 111.559 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.13 -38.02 87.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.825 0.85 . . . . 0.0 112.635 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.71 -33.2 72.17 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -2.21 39.1 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.83 76.75 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.867 1.222 . . . . 0.0 115.363 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -102.31 158.42 16.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.742 2.017 . . . . 0.0 111.942 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.0 p -72.38 148.59 90.91 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.436 0.694 . . . . 0.0 111.338 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.58 146.93 69.17 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.167 2.578 . . . . 0.0 112.249 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.84 147.38 35.2 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.122 0.969 . . . . 0.0 112.907 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.6 27.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.221 1.408 . . . . 0.0 110.785 171.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.32 56.71 8.93 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 126.086 1.755 . . . . 0.0 114.974 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.49 7.34 4.55 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 123.933 3.088 . . . . 0.0 115.456 -168.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -149.95 156.98 38.2 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 127.257 2.223 . . . . 0.0 112.601 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.251 1.169 0 C-N-CA 123.831 3.021 . . . . 0.0 112.352 168.856 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.31 145.19 92.75 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 113.988 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.52 -16.44 77.56 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 123.547 0.594 . . . . 0.0 114.19 173.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 p -69.61 155.59 40.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.172 1.789 . . . . 0.0 112.895 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -72.63 155.69 39.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 113.648 -170.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -73.04 120.03 18.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.554 -1.341 . . . . 0.0 111.559 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.92 -2.46 61.62 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.257 1.263 . . . . 0.0 116.257 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -8.37 56.47 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.068 1.347 . . . . 0.0 114.445 -175.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.0 -178.93 41.87 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 124.452 1.025 . . . . 0.0 114.064 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.86 148.14 44.97 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.411 1.085 . . . . 0.0 112.112 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -68.3 147.57 72.33 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.744 2.296 . . . . 0.0 111.618 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.0 p -72.9 158.3 35.77 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.296 0.57 . . . . 0.0 112.3 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -56.81 -24.9 54.13 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.705 -0.622 . . . . 0.0 112.362 168.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.95 -40.8 30.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.607 0.763 . . . . 0.0 112.034 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -69.09 -31.66 70.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.647 0.779 . . . . 0.0 112.91 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -70.5 -48.48 55.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 110.822 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.73 -38.49 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.507 1.048 . . . . 0.0 112.501 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.87 97.22 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.277 1.031 . . . . 0.0 112.375 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.13 -50.59 53.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 111.08 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.0 mt -65.36 -36.34 83.69 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 111.58 -172.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -61.92 -32.31 72.7 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.772 0.714 . . . . 0.0 112.92 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.65 62.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.437 -0.789 . . . . 0.0 112.507 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -81.59 -32.95 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.252 -0.905 . . . . 0.0 112.002 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -63.24 -35.66 81.08 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.218 1.007 . . . . 0.0 112.863 170.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -86.09 12.85 8.71 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.573 1.149 . . . . 0.0 113.261 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.9 t30 55.96 28.81 13.22 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.138 2.175 . . . . 0.0 114.923 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -97.92 -18.17 18.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.782 1.633 . . . . 0.0 113.245 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.52 142.55 51.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 109.603 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 m -92.16 157.38 16.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.218 1.407 . . . . 0.0 112.832 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.3 mm -53.97 -53.31 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.005 1.322 . . . . 0.0 110.413 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.11 -30.88 69.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.255 0.622 . . . . 0.0 112.203 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -73.56 -35.98 65.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.247 1.019 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.46 74.11 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.842 -1.161 . . . . 0.0 111.679 173.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.12 -43.5 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.972 0.909 . . . . 0.0 110.518 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -69.71 -25.24 63.77 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.282 0.947 . . . . 0.0 113.335 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.2 mt -84.31 -29.48 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.136 0.975 . . . . 0.0 113.114 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -85.93 -35.66 20.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.914 1.286 . . . . 0.0 113.682 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 t -62.32 139.19 96.38 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 123.987 0.915 . . . . 0.0 110.795 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.2 156.61 37.76 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.506 2.138 . . . . 0.0 113.359 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 140.5 46.66 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.867 1.667 . . . . 0.0 111.39 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 58.48 15.14 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.815 2.046 . . . . 0.0 114.653 -169.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.55 166.21 23.11 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.91 1.719 . . . . 0.0 114.858 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.79 -177.67 49.54 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.327 0.965 . . . . 0.0 113.705 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.45 158.44 52.43 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.283 0.944 . . . . 0.0 113.926 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.5 p -74.95 154.9 37.92 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.378 1.071 . . . . 0.0 113.081 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.73 -166.08 39.36 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.836 1.208 . . . . 0.0 113.714 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.54 146.66 10.86 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.939 1.257 . . . . 0.0 112.42 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.79 7.08 74.23 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.364 0.983 . . . . 0.0 115.239 -175.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -71.88 160.8 31.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.64 1.576 . . . . 0.0 113.279 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.3 mtt -75.18 90.84 2.57 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.089 0.956 . . . . 0.0 109.624 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.68 148.77 36.63 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.01 0.924 . . . . 0.0 111.565 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.77 65.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.921 0.888 . . . . 0.0 112.633 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -59.63 -55.0 39.9 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.837 0.855 . . . . 0.0 110.594 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -58.19 -41.02 83.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.78 0.832 . . . . 0.0 111.997 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.6 mt -63.27 -48.32 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.501 1.12 . . . . 0.0 111.259 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.65 -39.3 93.44 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.373 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -61.34 -45.36 94.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.374 0.988 . . . . 0.0 111.412 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.83 -39.72 87.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.198 0.908 . . . . 0.0 112.245 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.74 -45.7 91.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.627 0.771 . . . . 0.0 112.259 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -71.53 -34.41 70.03 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.693 -0.629 . . . . 0.0 112.668 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.04 -15.42 63.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.264 1.026 . . . . 0.0 113.511 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.29 83.16 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.039 1.305 . . . . 0.0 114.537 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.56 -7.2 88.67 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.842 1.211 . . . . 0.0 114.415 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.73 140.33 46.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.993 2.117 . . . . 0.0 110.376 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.12 155.76 27.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.136 0.975 . . . . 0.0 112.105 175.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -64.71 -34.39 78.2 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.047 -1.033 . . . . 0.0 112.746 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.18 93.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.821 0.848 . . . . 0.0 112.576 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.62 70.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 112.065 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.41 90.44 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.615 -0.678 . . . . 0.0 111.28 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.17 -45.33 87.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.282 -0.886 . . . . 0.0 111.937 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.74 67.93 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.062 0.945 . . . . 0.0 112.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.2 -33.56 74.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.729 1.212 . . . . 0.0 112.705 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.26 -34.89 68.56 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.734 0.814 . . . . 0.0 112.461 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.36 63.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.962 0.905 . . . . 0.0 112.897 173.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.22 11.54 3.4 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.978 1.551 . . . . 0.0 116.978 163.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.85 161.17 41.82 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.132 1.966 . . . . 0.0 113.652 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.6 p -65.78 147.51 98.7 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.27 151.96 66.41 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.705 2.936 . . . . 0.0 112.744 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.36 151.36 36.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.044 1.738 . . . . 0.0 111.253 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.43 130.47 37.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.413 0.685 . . . . 0.0 112.371 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.43 68.85 11.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 125.182 1.393 . . . . 0.0 111.491 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.83 54.43 4.82 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.519 3.479 . . . . 0.0 112.53 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.73 148.74 87.7 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.599 1.56 . . . . 0.0 112.132 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo . . . . . 0 C--O 1.255 1.349 0 C-N-CA 123.851 3.034 . . . . 0.0 113.006 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -70.07 163.03 40.02 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.764 2.976 . . . . 0.0 112.684 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.13 158.67 30.71 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.602 1.096 . . . . 0.0 112.905 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.3 m -76.85 -23.15 52.69 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -152.83 152.58 31.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.324 1.45 . . . . 0.0 112.05 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.4 p -132.48 -45.47 0.9 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.986 1.314 . . . . 0.0 112.688 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 177.3 39.03 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.444 1.497 . . . . 0.0 114.854 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 158.66 29.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.709 1.204 . . . . 0.0 114.115 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.95 -160.93 35.67 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.21 1.386 . . . . 0.0 113.713 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.31 148.81 98.23 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.954 0.902 . . . . 0.0 112.519 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.54 142.28 32.59 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 111.847 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 t -77.5 151.64 34.5 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.674 0.79 . . . . 0.0 111.931 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -55.16 -27.96 49.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.299 0.64 . . . . 0.0 112.116 167.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -26.45 61.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.001 0.921 . . . . 0.0 112.929 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -83.05 -41.7 18.33 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.658 1.183 . . . . 0.0 111.769 172.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.18 -50.03 73.45 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.507 1.123 . . . . 0.0 111.316 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.91 -36.42 76.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.752 0.706 . . . . 0.0 112.827 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.34 65.43 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.911 0.884 . . . . 0.0 112.401 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.41 HD21 ' HB1' ' A' ' 33' ' ' ALA . 10.1 tt -66.06 -40.05 90.61 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.348 1.459 . . . . 0.0 112.053 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.63 -39.67 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.924 1.69 . . . . 0.0 112.21 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.7 m -62.59 -33.16 74.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.306 0.957 . . . . 0.0 112.836 174.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.94 -33.59 72.32 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.478 0.581 . . . . 0.0 112.004 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.88 -32.16 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.159 -0.963 . . . . 0.0 112.351 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -62.52 -32.94 73.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.024 0.93 . . . . 0.0 112.678 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -90.26 10.24 25.51 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.65 1.58 . . . . 0.0 113.942 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t30 62.45 24.57 14.63 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.307 1.843 . . . . 0.0 114.692 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -95.29 -23.87 17.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.223 1.409 . . . . 0.0 113.059 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.4 137.39 54.34 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.299 1.84 . . . . 0.0 108.638 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -87.59 158.65 18.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.274 1.03 . . . . 0.0 113.493 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.38 -52.35 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.497 1.119 . . . . 0.0 110.457 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.55 -34.08 71.85 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.0 -1.063 . . . . 0.0 112.24 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.07 -28.8 67.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.542 1.137 . . . . 0.0 112.226 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' A' ' 19' ' ' LEU . . . -76.77 -44.38 33.2 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.392 -0.817 . . . . 0.0 111.334 170.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.97 -37.69 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.582 1.153 . . . . 0.0 111.269 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -66.35 -23.29 66.32 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.48 -36.25 15.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.258 1.423 . . . . 0.0 113.109 172.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.34 -30.0 61.83 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.435 1.494 . . . . 0.0 114.173 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.8 t -50.3 124.85 18.75 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -163.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.06 163.24 31.02 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.55 2.833 . . . . 0.0 113.87 -172.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -73.1 -20.25 60.98 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.795 1.238 . . . . 0.0 113.489 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.69 116.79 29.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.521 1.929 . . . . 0.0 109.692 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.98 175.33 52.33 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.336 0.97 . . . . 0.0 114.812 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -179.31 53.18 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.74 1.162 . . . . 0.0 114.979 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.57 -178.74 48.74 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.125 1.345 . . . . 0.0 112.907 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m -64.6 121.19 13.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.461 1.105 . . . . 0.0 112.459 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.2 -18.57 60.55 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.198 0.904 . . . . 0.0 115.019 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.12 -23.84 76.93 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 118.681 1.24 . . . . 0.0 114.711 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.39 8.58 5.33 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.265 1.412 . . . . 0.0 114.166 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m 53.15 92.77 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.504 1.921 . . . . 0.0 113.982 -173.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.4 mtt -109.53 117.21 33.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.38 1.072 . . . . 0.0 111.93 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.48 154.47 35.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.829 2.452 . . . . 0.0 108.042 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.08 64.57 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 118.997 0.817 . . . . 0.0 112.661 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.99 -54.57 43.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.908 0.883 . . . . 0.0 110.892 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.86 -38.65 91.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.838 0.855 . . . . 0.0 112.023 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.23 -47.23 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 110.953 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.6 mm? -65.86 -37.71 86.9 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.83 -0.544 . . . . 0.0 112.408 174.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.8 m -64.88 -43.86 91.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.885 0.766 . . . . 0.0 111.213 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -67.59 -41.28 84.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.254 1.022 . . . . 0.0 112.095 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.13 -44.83 95.77 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.274 1.03 . . . . 0.0 111.743 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -69.86 -35.29 74.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.394 0.678 . . . . 0.0 112.366 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.35 -14.97 62.36 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.986 1.314 . . . . 0.0 113.523 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.58 7.84 85.59 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.62 1.105 . . . . 0.0 114.526 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.48 -7.31 88.58 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.249 1.404 . . . . 0.0 114.673 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.0 tp -132.35 139.45 48.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.268 1.827 . . . . 0.0 110.562 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -79.2 159.97 27.13 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.546 0.738 . . . . 0.0 112.005 175.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.61 -39.61 91.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.314 1.045 . . . . 0.0 111.751 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.94 96.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.082 0.553 . . . . 0.0 112.111 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.91 77.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.242 0.617 . . . . 0.0 111.881 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.34 82.14 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.736 0.698 . . . . 0.0 111.42 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.651 0.781 . . . . 0.0 112.676 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.17 49.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.747 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.99 -32.75 71.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.648 1.179 . . . . 0.0 112.439 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.22 70.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.034 0.834 . . . . 0.0 112.698 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.87 -4.27 39.89 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 171.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.13 18.22 78.73 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.818 1.199 . . . . 0.0 116.057 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -131.45 143.67 50.6 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.076 1.35 . . . . 0.0 111.419 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.2 p -73.56 144.05 83.05 Favored Pre-proline 0 N--CA 1.476 0.868 0 O-C-N 121.195 -0.941 . . . . 0.0 113.208 -174.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.24 162.75 40.73 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.735 2.957 . . . . 0.0 112.214 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.9 157.79 44.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 112.381 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.38 1.82 27.41 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -138.63 73.13 41.89 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.541 1.936 . . . . 0.0 110.294 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -80.48 16.28 1.59 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 124.58 3.52 . . . . 0.0 114.864 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -136.61 114.29 10.29 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 126.449 1.899 . . . . 0.0 110.187 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--O 1.254 1.297 0 C-N-CA 123.502 2.802 . . . . 0.0 112.962 177.131 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 CA-C-O 120.096 -0.28 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 155.13 51.93 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.42 3.414 . . . . 0.0 114.227 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.15 15.95 79.82 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.294 0.949 . . . . 0.0 115.395 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.1 p -82.73 -6.06 59.2 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -173.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.98 136.23 57.73 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.17 0.988 . . . . 0.0 113.619 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -139.39 158.68 43.74 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.741 2.016 . . . . 0.0 110.454 170.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.55 134.18 2.3 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 121.501 -0.75 . . . . 0.0 112.789 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.1 38.54 17.13 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.6 1.16 . . . . 0.0 113.197 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.93 -143.06 16.26 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.683 1.611 . . . . 0.0 112.746 -167.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -135.65 157.79 75.53 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.864 1.666 . . . . 0.0 111.637 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -59.42 149.3 82.41 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.271 2.647 . . . . 0.0 112.538 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 p -128.04 150.82 49.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.775 1.23 . . . . 0.0 111.349 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -59.39 -25.79 64.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.97 -0.456 . . . . 0.0 112.211 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.69 63.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.807 0.843 . . . . 0.0 112.657 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.17 -39.16 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.118 0.967 . . . . 0.0 112.464 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.38 -49.01 68.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.446 1.098 . . . . 0.0 111.572 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.53 -37.57 81.59 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.194 -0.941 . . . . 0.0 112.764 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.48 85.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.889 0.875 . . . . 0.0 112.388 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.99 -48.8 70.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.354 1.061 . . . . 0.0 111.349 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.02 -41.62 97.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.349 1.459 . . . . 0.0 111.775 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m -60.55 -33.76 73.15 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.276 -0.89 . . . . 0.0 112.936 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.54 63.98 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.674 0.67 . . . . 0.0 112.276 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.4 -33.22 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.64 1.109 . . . . 0.0 112.774 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -65.3 -29.55 70.32 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.15 0.98 . . . . 0.0 112.392 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -90.45 8.32 34.36 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.62 1.968 . . . . 0.0 113.144 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.72 26.93 15.23 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.54 1.936 . . . . 0.0 115.159 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -93.44 -21.75 19.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.658 1.583 . . . . 0.0 113.065 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -123.13 137.86 54.8 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.373 1.869 . . . . 0.0 109.057 -178.398 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -85.89 156.31 20.57 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.782 0.833 . . . . 0.0 112.863 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.5 mm -52.43 -53.98 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.26 1.424 . . . . 0.0 111.487 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.05 -24.95 59.6 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -69.08 -43.0 75.45 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.313 -0.867 . . . . 0.0 110.419 169.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.61 -25.41 67.38 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.873 -1.142 . . . . 0.0 112.885 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.8 t -74.21 -46.69 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.109 0.868 . . . . 0.0 110.724 170.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -29.25 68.07 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.765 1.166 . . . . 0.0 113.198 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.64 -21.82 41.09 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.37 1.068 . . . . 0.0 113.129 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -76.72 -62.89 1.49 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.026 1.331 . . . . 0.0 109.986 171.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.2 m -165.93 126.97 1.32 Allowed Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 127.253 2.221 . . . . 0.0 108.743 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.39 125.84 14.03 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.525 2.15 . . . . 0.0 110.65 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -128.04 137.75 52.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.297 1.439 . . . . 0.0 112.788 -168.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -90.58 -34.41 15.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 0.0 113.008 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.18 82.42 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.412 1.482 . . . . 0.0 114.889 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.29 -170.47 42.51 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.156 1.36 . . . . 0.0 114.535 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.99 -164.4 54.73 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.242 0.925 . . . . 0.0 114.526 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 m -60.29 127.27 30.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.215 1.006 . . . . 0.0 111.924 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.87 5.93 71.28 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.256 0.931 . . . . 0.0 114.905 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.82 -168.82 32.43 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.487 1.518 . . . . 0.0 114.495 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.05 167.33 42.83 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.596 1.093 . . . . 0.0 114.736 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -74.3 149.68 40.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 0.0 112.755 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 49.26 41.56 20.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.564 1.546 . . . . 0.0 113.573 -172.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.28 153.41 37.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.076 0.95 . . . . 0.0 112.448 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.32 -34.98 67.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -63.33 -49.92 72.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.787 1.176 . . . . 0.0 111.408 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -61.03 -41.99 97.61 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.71 1.204 . . . . 0.0 111.652 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.42 -48.19 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.272 1.029 . . . . 0.0 110.919 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.3 mm? -62.59 -39.33 93.39 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.234 0.47 . . . . 0.0 112.061 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.2 m -62.02 -45.94 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.403 0.681 . . . . 0.0 110.718 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -67.72 -37.57 82.41 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.35 0.66 . . . . 0.0 112.595 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -66.47 -41.34 89.18 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.753 0.821 . . . . 0.0 112.654 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -73.42 -33.43 64.94 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.462 -0.774 . . . . 0.0 112.401 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.88 -12.44 61.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.549 1.14 . . . . 0.0 113.496 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 7.1 88.52 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.906 1.241 . . . . 0.0 114.625 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.26 -13.74 83.29 Favored Glycine 0 CA--C 1.545 1.917 0 C-N-CA 125.126 1.346 . . . . 0.0 114.006 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -122.51 136.17 54.82 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.877 1.671 . . . . 0.0 110.617 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.86 156.1 30.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.216 1.006 . . . . 0.0 112.219 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -58.85 -39.33 80.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.431 0.692 . . . . 0.0 112.722 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.22 98.42 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.323 0.649 . . . . 0.0 112.009 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.08 -39.83 68.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.663 0.785 . . . . 0.0 111.808 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.04 91.14 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.534 -0.729 . . . . 0.0 111.899 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.6 -45.63 92.03 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.671 -0.643 . . . . 0.0 111.948 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.48 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.843 0.857 . . . . 0.0 111.99 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.46 -31.86 70.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.638 1.175 . . . . 0.0 112.284 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.38 -34.56 68.03 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.085 0.857 . . . . 0.0 112.955 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.41 -1.76 46.88 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.99 67.32 Favored Glycine 0 CA--C 1.539 1.593 0 O-C-N 121.027 -1.046 . . . . 0.0 114.49 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -117.96 178.02 4.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.983 2.513 . . . . 0.0 111.055 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 p -114.76 146.67 36.54 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.904 1.282 . . . . 0.0 111.988 172.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -72.06 149.12 51.99 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.851 2.367 . . . . 0.0 112.904 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 138.16 58.17 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.843 0.857 . . . . 0.0 111.95 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 57.4 11.48 1.18 Allowed 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -172.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.77 65.14 4.97 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 127.106 2.163 . . . . 0.0 115.591 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.16 72.84 3.97 Favored 'Trans proline' 0 CA--C 1.549 1.255 0 C-N-CA 124.67 3.58 . . . . 0.0 112.168 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 48.18 52.22 12.13 Favored Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 127.238 2.215 . . . . 0.0 114.718 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 C--O 1.254 1.277 0 C-N-CA 123.189 2.593 . . . . 0.0 112.924 173.68 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.02 161.17 46.96 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 124.047 3.165 . . . . 0.0 112.814 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.23 145.79 43.31 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.044 0.83 . . . . 0.0 113.66 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -73.81 158.86 33.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 113.089 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -120.24 155.98 32.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.368 1.467 . . . . 0.0 112.177 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.3 p -94.77 -16.76 22.75 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -167.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 -19.53 60.56 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.7 1.143 . . . . 0.0 115.637 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.99 -10.47 59.77 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.42 -142.81 9.36 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.306 1.431 . . . . 0.0 114.466 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 148.94 98.68 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.472 1.509 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.76 156.13 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.532 2.822 . . . . 0.0 112.766 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -95.7 157.91 15.69 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.613 1.565 . . . . 0.0 112.672 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -55.87 -25.43 42.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 163.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.2 64.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -74.61 -35.43 62.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.824 0.85 . . . . 0.0 112.154 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.18 -48.69 64.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.314 1.046 . . . . 0.0 111.138 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.92 -39.48 74.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 112.986 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.08 86.01 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.51 -43.65 59.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.233 1.413 . . . . 0.0 110.98 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.72 -38.56 89.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 112.606 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -62.54 -30.41 71.28 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.087 0.858 . . . . 0.0 113.011 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.6 69.09 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.097 0.862 . . . . 0.0 111.664 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.61 -35.5 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.92 -1.113 . . . . 0.0 112.244 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -70.08 -24.7 63.27 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.11 14.16 24.82 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.477 1.511 . . . . 0.0 113.215 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.88 27.05 15.65 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.73 2.012 . . . . 0.0 114.705 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -83.59 -27.71 29.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.75 1.22 . . . . 0.0 112.334 170.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 143.09 51.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.815 1.646 . . . . 0.0 109.312 -172.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -81.6 155.61 25.58 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.14 -0.975 . . . . 0.0 112.474 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.76 -46.67 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.076 1.35 . . . . 0.0 110.696 168.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.66 -35.5 52.34 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.147 -0.971 . . . . 0.0 112.233 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.52 -26.62 62.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.082 0.953 . . . . 0.0 112.197 175.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.46 -40.66 64.0 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.005 -1.059 . . . . 0.0 111.768 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.21 -40.94 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 110.759 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -68.8 -24.28 64.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.4 mt -88.69 -35.25 16.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.69 1.196 . . . . 0.0 112.524 173.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -78.49 -36.78 44.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.712 1.205 . . . . 0.0 113.72 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.4 m -63.67 132.41 95.19 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.545 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.27 146.48 60.63 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.358 2.705 . . . . 0.0 113.838 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -72.67 -18.49 61.55 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.471 1.109 . . . . 0.0 113.658 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.21 146.52 37.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.844 2.058 . . . . 0.0 111.145 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.23 -168.22 44.05 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 114.31 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.67 -7.23 59.07 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.458 1.504 . . . . 0.0 116.3 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.18 175.86 54.6 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.553 1.177 . . . . 0.0 113.844 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -73.39 -6.88 49.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.749 1.22 . . . . 0.0 114.081 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.47 4.67 55.05 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 125.829 1.68 . . . . 0.0 116.097 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.69 166.05 46.94 Favored Glycine 0 CA--C 1.544 1.882 0 C-N-CA 124.616 1.103 . . . . 0.0 113.83 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.54 172.82 45.49 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.656 1.122 . . . . 0.0 114.113 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.5 p -94.6 17.25 13.64 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 40.1 mtm -139.28 125.2 19.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.846 1.659 . . . . 0.0 110.03 172.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.65 148.28 50.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.674 1.19 . . . . 0.0 112.978 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.23 75.85 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.29 -0.881 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -56.99 -52.7 64.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.712 1.205 . . . . 0.0 111.415 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.94 -43.02 95.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.604 1.162 . . . . 0.0 111.536 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.09 -47.55 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.832 0.853 . . . . 0.0 111.343 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.85 -38.32 90.35 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.65 -0.657 . . . . 0.0 111.545 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -61.48 -45.9 92.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 0.0 110.887 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -68.23 -41.91 80.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.019 0.927 . . . . 0.0 112.537 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.23 -45.98 90.89 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.561 1.144 . . . . 0.0 112.098 177.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -70.44 -34.38 72.39 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.81 -13.13 61.24 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.158 0.983 . . . . 0.0 113.312 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.27 82.2 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.809 1.195 . . . . 0.0 114.617 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.53 -8.27 87.71 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.095 1.331 . . . . 0.0 114.135 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -138.05 141.27 40.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.234 1.813 . . . . 0.0 110.788 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.44 154.53 23.91 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.254 1.022 . . . . 0.0 111.604 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.55 -39.7 84.86 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.292 0.637 . . . . 0.0 112.521 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.6 94.67 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 0.0 112.296 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.13 67.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.634 0.774 . . . . 0.0 111.595 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.431 0.693 . . . . 0.0 111.396 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.61 -42.39 88.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.043 0.937 . . . . 0.0 112.688 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.11 79.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.727 0.811 . . . . 0.0 113.059 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -32.82 18.34 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.184 1.394 . . . . 0.0 112.34 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.12 -35.51 79.89 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.011 1.325 . . . . 0.0 112.233 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -15.56 57.57 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.42 18.52 77.81 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.034 1.302 . . . . 0.0 115.927 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -97.59 -18.19 19.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.118 1.367 . . . . 0.0 113.642 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.3 p 64.01 144.33 0.08 OUTLIER Pre-proline 0 N--CA 1.486 1.37 0 C-N-CA 129.317 3.047 . . . . 0.0 115.369 -177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.04 156.58 51.84 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.051 2.501 . . . . 0.0 112.662 -174.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.3 159.03 43.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.583 1.553 . . . . 0.0 112.726 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.75 166.3 27.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.194 1.398 . . . . 0.0 112.51 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.14 147.87 52.19 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.275 1.43 . . . . 0.0 110.99 170.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.09 15.06 1.94 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 124.337 3.358 . . . . 0.0 114.147 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.27 148.0 83.3 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 125.906 1.683 . . . . 0.0 112.447 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--O 1.252 1.213 0 C-N-CA 123.619 2.879 . . . . 0.0 113.167 178.269 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -67.32 -22.36 46.14 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.624 2.883 . . . . 0.0 115.883 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.43 -148.88 42.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.243 0.925 . . . . 0.0 113.253 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.3 t -142.66 151.57 41.54 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.036 1.334 . . . . 0.0 111.37 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -147.28 145.86 29.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.711 1.604 . . . . 0.0 111.511 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.2 p -139.15 149.97 45.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.616 1.567 . . . . 0.0 111.881 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.46 -32.54 50.93 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.855 0.74 . . . . 0.0 114.592 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.83 -173.42 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.019 2.127 . . . . 0.0 115.404 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.96 2.96 90.7 Favored Glycine 0 CA--C 1.538 1.472 0 N-CA-C 116.289 1.276 . . . . 0.0 116.289 175.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -141.79 152.26 62.05 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 126.01 1.724 . . . . 0.0 111.544 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.22 146.11 68.61 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.851 2.367 . . . . 0.0 111.565 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -75.13 162.86 28.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.439 -0.788 . . . . 0.0 112.204 176.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -57.66 -24.7 58.01 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.677 -0.639 . . . . 0.0 112.071 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.25 28.48 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.777 0.717 . . . . 0.0 112.391 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.52 -42.21 95.99 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.678 0.791 . . . . 0.0 111.607 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -71.64 -47.62 53.24 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.869 1.267 . . . . 0.0 112.082 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.0 -38.41 82.53 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.56 1.073 . . . . 0.0 112.615 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.81 93.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.699 0.799 . . . . 0.0 112.461 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.12 -49.1 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.289 1.035 . . . . 0.0 111.1 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.18 -39.91 86.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.158 1.383 . . . . 0.0 111.87 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -62.8 -30.03 71.16 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.256 -0.903 . . . . 0.0 112.605 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.55 -35.54 63.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.197 0.599 . . . . 0.0 112.546 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 p -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.247 -0.908 . . . . 0.0 112.166 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.05 -33.73 76.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 112.484 173.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.8 15.29 13.22 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.379 1.472 . . . . 0.0 113.267 174.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.9 t30 60.62 20.77 10.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.143 1.777 . . . . 0.0 115.431 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -84.73 -28.1 26.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.696 1.198 . . . . 0.0 112.569 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.01 141.87 51.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.87 1.668 . . . . 0.0 109.147 -173.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 m -89.83 159.25 17.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.666 1.186 . . . . 0.0 112.475 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.5 mm -53.37 -53.26 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.748 1.219 . . . . 0.0 110.875 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.0 -30.11 67.34 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.744 -0.598 . . . . 0.0 112.157 -175.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -74.16 -37.56 63.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.551 0.74 . . . . 0.0 111.211 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.7 74.36 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.66 -1.275 . . . . 0.0 111.981 174.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.9 t -71.48 -40.79 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.709 0.804 . . . . 0.0 110.917 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -26.02 62.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.094 0.861 . . . . 0.0 113.269 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.5 mt -87.21 -13.46 43.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.697 1.199 . . . . 0.0 113.694 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -73.67 -35.04 65.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.706 1.203 . . . . 0.0 113.068 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -46.6 115.12 3.04 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.791 1.636 . . . . 0.0 114.061 -162.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -62.14 150.49 86.5 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 123.105 2.537 . . . . 0.0 114.09 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.02 1.12 54.96 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 114.536 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -125.29 147.54 49.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 127.177 2.191 . . . . 0.0 111.147 -177.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.29 -14.42 56.75 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 115.738 1.055 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -0.46 67.39 Favored Glycine 0 CA--C 1.543 1.819 0 C-N-CA 125.252 1.406 . . . . 0.0 115.785 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.3 150.58 37.08 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.021 1.411 . . . . 0.0 114.327 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.6 t -73.41 147.61 44.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.279 1.032 . . . . 0.0 112.628 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.29 159.27 21.63 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.137 1.351 . . . . 0.0 113.562 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.0 -166.92 37.79 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.557 1.075 . . . . 0.0 113.494 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.86 -5.06 73.64 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.038 1.304 . . . . 0.0 115.069 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -143.74 171.27 14.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.668 1.987 . . . . 0.0 110.715 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mtp 54.59 42.67 31.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.914 1.686 . . . . 0.0 113.368 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -71.86 141.38 49.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.557 0.743 . . . . 0.0 111.049 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.9 85.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.243 1.017 . . . . 0.0 112.645 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.86 -51.95 67.51 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.956 0.902 . . . . 0.0 111.1 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.62 -41.67 95.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 111.599 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.91 -48.57 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.073 0.949 . . . . 0.0 111.244 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.84 -37.32 86.35 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.598 -0.689 . . . . 0.0 111.697 175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.3 m -63.13 -45.91 89.74 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.981 0.809 . . . . 0.0 110.835 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -66.51 -40.85 89.43 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.673 0.789 . . . . 0.0 112.354 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.31 -45.78 89.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.887 0.875 . . . . 0.0 111.995 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -71.91 -34.52 69.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.36 -15.15 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.224 1.01 . . . . 0.0 113.561 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.26 11.92 81.49 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.725 1.155 . . . . 0.0 114.7 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.02 90.01 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.256 1.408 . . . . 0.0 114.17 171.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 tp -137.43 140.49 41.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 110.664 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -79.99 157.79 26.72 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.742 0.817 . . . . 0.0 112.42 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -65.8 -34.29 77.82 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.175 -0.953 . . . . 0.0 112.688 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.25 93.6 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.142 0.977 . . . . 0.0 112.358 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.78 -39.13 70.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.453 0.701 . . . . 0.0 111.826 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.7 95.28 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.589 -0.695 . . . . 0.0 111.279 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.58 -46.95 85.85 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.815 0.734 . . . . 0.0 112.051 174.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.72 55.12 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.553 0.741 . . . . 0.0 111.709 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.83 -37.41 81.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.683 1.193 . . . . 0.0 112.187 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.66 -33.96 75.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.998 0.817 . . . . 0.0 113.129 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.55 25.97 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.21 17.89 80.14 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.738 1.161 . . . . 0.0 114.69 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -107.02 179.18 4.34 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.077 2.151 . . . . 0.0 110.803 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.0 p -116.92 154.91 49.71 Favored Pre-proline 0 N--CA 1.479 1.002 0 C-N-CA 124.909 1.284 . . . . 0.0 111.792 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -58.94 142.46 99.25 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.193 2.595 . . . . 0.0 113.615 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.37 156.4 17.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.769 1.228 . . . . 0.0 113.185 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.33 153.07 36.89 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.73 1.612 . . . . 0.0 111.521 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.8 131.2 50.02 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 111.452 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -83.7 10.07 3.84 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.068 3.179 . . . . 0.0 114.591 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -145.97 143.85 20.48 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 127.198 2.199 . . . . 0.0 111.268 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 C--O 1.255 1.361 0 C-N-CA 123.57 2.846 . . . . 0.0 114.155 176.318 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -61.12 164.94 13.38 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 124.355 3.37 . . . . 0.0 114.34 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.67 -2.47 56.35 Favored Glycine 0 CA--C 1.542 1.762 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p -136.45 159.41 41.86 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.404 1.882 . . . . 0.0 112.159 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -145.04 159.2 43.32 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.13 1.372 . . . . 0.0 112.103 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -78.66 140.41 38.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.909 1.284 . . . . 0.0 113.574 -175.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.55 -167.08 36.56 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.914 1.245 . . . . 0.0 113.878 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.76 -153.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.236 1.814 . . . . 0.0 114.403 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.51 -158.7 21.0 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.474 1.511 . . . . 0.0 113.712 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -86.5 146.89 42.84 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.995 1.318 . . . . 0.0 112.271 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -62.54 149.11 92.11 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.14 2.56 . . . . 0.0 114.575 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -98.4 136.95 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.742 1.617 . . . . 0.0 110.841 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -58.07 -27.64 63.83 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.45 -34.33 58.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.498 0.719 . . . . 0.0 112.781 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.92 -36.62 62.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.552 1.141 . . . . 0.0 112.104 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.1 -50.13 67.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.296 1.038 . . . . 0.0 111.267 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.19 -38.03 70.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.177 0.991 . . . . 0.0 113.075 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.56 78.91 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.725 0.81 . . . . 0.0 112.449 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.06 -32.71 67.33 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.018 1.327 . . . . 0.0 112.617 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -72.58 -37.86 68.04 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.467 1.507 . . . . 0.0 112.108 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -65.59 -35.38 80.65 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.064 -1.022 . . . . 0.0 112.366 169.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.05 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -75.95 -30.48 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 120.635 -1.291 . . . . 0.0 112.786 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -68.08 -29.7 68.72 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.1 10.56 40.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.256 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.268 3.3 t-20 51.89 36.12 17.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.104 2.561 . . . . 0.0 114.536 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -77.32 -27.44 52.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.199 1.0 . . . . 0.0 110.808 161.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -113.05 162.9 15.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.787 2.035 . . . . 0.0 109.295 164.426 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.508 ' H ' HD13 ' A' ' 28' ' ' LEU . 73.8 m -121.33 158.01 29.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.52 1.528 . . . . 0.0 111.368 176.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mm -53.5 -47.66 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.884 1.274 . . . . 0.0 111.374 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.77 -29.26 58.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.45 -0.781 . . . . 0.0 112.6 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -73.42 -32.56 64.49 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.427 -0.795 . . . . 0.0 110.886 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.89 87.03 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 120.454 -1.404 . . . . 0.0 111.558 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.39 -38.14 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.763 0.825 . . . . 0.0 110.622 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -71.96 -27.73 62.97 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -82.23 -32.67 29.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.076 0.951 . . . . 0.0 112.937 172.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.78 -39.73 69.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.676 1.59 . . . . 0.0 111.901 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m 60.62 102.0 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.753 2.421 . . . . 0.0 112.086 -168.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.64 141.46 85.9 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.167 2.578 . . . . 0.0 113.438 -168.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -118.87 149.95 40.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.912 1.685 . . . . 0.0 111.201 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -73.04 139.55 46.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.928 1.291 . . . . 0.0 112.998 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.25 -15.18 77.37 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 124.417 1.008 . . . . 0.0 114.092 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -177.6 171.49 44.14 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 125.109 1.337 . . . . 0.0 113.719 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.21 6.83 40.75 Favored Glycine 0 CA--C 1.542 1.776 0 C-N-CA 125.786 1.66 . . . . 0.0 116.386 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -143.91 157.8 44.11 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.909 1.683 . . . . 0.0 111.702 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.54 -165.09 47.77 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.644 1.116 . . . . 0.0 114.64 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.25 176.47 42.66 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.127 1.346 . . . . 0.0 112.879 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.55 6.21 75.88 Favored Glycine 0 CA--C 1.539 1.571 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -132.42 138.36 47.62 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.335 1.454 . . . . 0.0 111.078 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 53.22 37.43 25.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.236 1.414 . . . . 0.0 112.851 -172.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.12 157.97 32.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.539 1.135 . . . . 0.0 110.488 166.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.99 62.11 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.465 -0.772 . . . . 0.0 112.875 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.9 -51.62 69.25 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 112.215 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -64.16 -41.1 97.29 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.881 0.472 . . . . 0.0 111.366 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.87 -48.14 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.478 1.111 . . . . 0.0 111.138 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.1 mm? -65.3 -40.14 93.41 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.678 -0.639 . . . . 0.0 112.007 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.8 m -61.78 -46.98 87.22 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 0.698 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -68.97 -38.09 79.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.662 0.785 . . . . 0.0 112.433 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -61.81 -44.21 97.32 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.314 0.961 . . . . 0.0 112.023 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -73.77 -33.57 64.32 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.33 -22.77 59.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.494 1.118 . . . . 0.0 113.799 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.09 10.28 62.7 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.577 1.084 . . . . 0.0 114.759 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.67 86.94 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.665 1.126 . . . . 0.0 113.766 168.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 tp -139.75 139.39 36.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.021 1.728 . . . . 0.0 111.525 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.63 157.92 22.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.458 1.103 . . . . 0.0 112.282 174.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.64 -40.48 83.53 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.633 0.773 . . . . 0.0 112.785 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.722 0.809 . . . . 0.0 112.155 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.55 70.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.622 0.769 . . . . 0.0 111.772 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.17 86.66 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.304 -0.872 . . . . 0.0 111.805 175.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -61.36 -45.65 93.52 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.752 -0.593 . . . . 0.0 111.652 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.97 75.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.483 0.713 . . . . 0.0 112.5 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 mp -71.54 -35.37 70.62 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.811 1.244 . . . . 0.0 112.204 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.94 -35.53 80.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.949 0.795 . . . . 0.0 112.789 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.15 -1.89 34.84 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.49 19.8 75.64 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.794 1.188 . . . . 0.0 115.68 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -112.46 167.88 10.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.377 1.871 . . . . 0.0 112.54 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -67.62 150.45 97.82 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 123.986 0.914 . . . . 0.0 112.256 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.98 172.58 15.16 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 123.621 2.881 . . . . 0.0 113.016 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.72 -178.82 0.14 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.025 2.13 . . . . 0.0 115.231 -175.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 156.65 34.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.264 1.425 . . . . 0.0 114.027 -172.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 45.38 59.86 14.07 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.335 1.854 . . . . 0.0 114.642 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -79.8 62.65 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 124.53 3.486 . . . . 0.0 112.298 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -147.1 161.18 37.71 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 126.68 1.992 . . . . 0.0 112.398 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 C--O 1.256 1.417 0 C-N-CA 124.024 3.149 . . . . 0.0 114.36 176.329 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -21.72 64.07 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.38 -42.09 13.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.565 1.146 . . . . 0.0 112.223 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -75.24 -47.71 26.83 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 124.899 1.28 . . . . 0.0 112.172 -174.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.65 -34.12 77.14 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.243 -0.91 . . . . 0.0 112.153 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.3 89.05 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.407 1.083 . . . . 0.0 112.672 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.17 -42.44 31.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 111.506 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.29 -36.11 82.12 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.15 1.38 . . . . 0.0 113.072 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.4 m -61.51 -36.39 80.4 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.306 0.957 . . . . 0.0 112.541 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.44 71.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.022 0.374 . . . . 0.0 111.751 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 p -84.29 -31.34 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.084 -1.01 . . . . 0.0 112.12 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -62.75 -35.85 81.12 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.148 0.979 . . . . 0.0 112.556 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -88.87 8.54 28.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.46 1.504 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.6 27.51 15.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.347 1.859 . . . . 0.0 114.397 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -82.93 -28.5 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.297 1.039 . . . . 0.0 112.038 168.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.16 138.98 53.29 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.017 1.727 . . . . 0.0 109.442 -171.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -80.52 157.01 26.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.919 0.888 . . . . 0.0 112.766 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mm -55.43 -45.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.112 1.365 . . . . 0.0 110.148 168.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.64 -36.32 73.36 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.307 -0.871 . . . . 0.0 111.533 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -43.01 73.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.074 0.95 . . . . 0.0 110.7 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 -25.35 68.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.718 -1.239 . . . . 0.0 113.121 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -77.47 -41.12 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.717 1.207 . . . . 0.0 111.198 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -29.11 60.31 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 124.42 1.088 . . . . 0.0 113.921 176.034 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.75 66.08 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.32 -50.47 72.85 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.11 0.964 . . . . 0.0 111.547 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.66 -38.75 87.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.321 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.409 HG21 ' HG ' ' A' ' 73' ' ' LEU . 63.1 mt -62.1 -50.51 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.701 0.8 . . . . 0.0 111.194 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.86 -39.91 94.31 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.119 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -60.29 -46.76 88.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.914 0.779 . . . . 0.0 110.961 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.34 -38.44 71.64 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.38 -44.88 95.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.879 0.763 . . . . 0.0 111.375 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -70.98 -36.2 72.42 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.72 -15.33 62.19 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.386 1.075 . . . . 0.0 113.375 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.33 10.52 79.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.841 1.21 . . . . 0.0 114.403 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.68 -5.97 89.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.562 1.554 . . . . 0.0 114.622 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.5 tp -133.05 137.29 46.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.095 1.758 . . . . 0.0 110.571 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.16 154.47 40.3 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 0.0 112.425 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -61.27 -38.01 85.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.491 0.716 . . . . 0.0 112.302 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.18 96.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.229 1.012 . . . . 0.0 111.986 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.04 81.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.566 0.746 . . . . 0.0 111.889 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.62 77.12 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.069 0.548 . . . . 0.0 111.223 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.02 -42.52 99.25 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.388 -0.82 . . . . 0.0 112.312 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.96 70.63 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.357 0.663 . . . . 0.0 112.483 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 mp -71.14 -31.97 68.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.232 1.013 . . . . 0.0 112.425 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HG ' HG21 ' A' ' 55' ' ' ILE . 96.5 mt -69.71 -36.22 75.72 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.004 0.82 . . . . 0.0 112.688 171.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.99 60.81 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 C-N-CA 125.154 1.359 . . . . 0.0 114.791 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.25 -27.74 60.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.638 0.775 . . . . 0.0 112.637 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.87 -41.08 27.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.015 0.926 . . . . 0.0 112.039 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.77 -53.57 48.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.223 1.009 . . . . 0.0 111.571 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.51 -34.0 76.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.218 -0.927 . . . . 0.0 113.071 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.85 75.71 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.626 0.771 . . . . 0.0 112.268 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.19 -51.71 42.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.745 1.218 . . . . 0.0 111.101 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.4 -38.68 87.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.767 1.227 . . . . 0.0 112.0 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.4 m -60.53 -27.18 67.43 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.47 -35.83 24.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.499 0.59 . . . . 0.0 112.497 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.45 -36.72 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.83 1.195 . . . . 0.0 112.367 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -59.93 -28.67 67.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.798 1.239 . . . . 0.0 112.664 172.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -102.13 16.03 27.32 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.466 1.906 . . . . 0.0 113.236 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.9 t30 60.26 20.8 10.23 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.428 1.891 . . . . 0.0 114.74 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -91.62 -17.94 24.78 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.435 1.494 . . . . 0.0 113.515 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.12 138.75 49.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 109.287 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -83.58 158.22 22.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.449 1.1 . . . . 0.0 112.726 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.59 -52.77 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.549 1.14 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.16 -25.96 42.78 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.631 -0.668 . . . . 0.0 112.784 -173.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -69.09 -37.77 78.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.35 0.66 . . . . 0.0 110.82 169.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.96 -32.1 73.12 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.747 -1.22 . . . . 0.0 112.481 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.16 -38.57 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.3 -0.875 . . . . 0.0 110.635 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -22.77 55.63 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 124.465 1.106 . . . . 0.0 113.2 173.777 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 t0 . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.9 -36.37 67.6 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.742 -1.224 . . . . 0.0 113.255 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.7 -44.2 81.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.071 1.348 . . . . 0.0 112.783 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -71.13 -41.74 70.12 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.271 1.028 . . . . 0.0 110.94 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.71 -47.83 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.237 1.015 . . . . 0.0 111.362 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.21 -36.09 82.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.599 -0.688 . . . . 0.0 111.572 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.8 m -62.01 -44.66 96.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.688 0.677 . . . . 0.0 111.362 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 -38.14 82.23 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.466 0.707 . . . . 0.0 112.461 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -70.0 -39.27 75.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -73.45 -33.88 65.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.362 0.665 . . . . 0.0 112.749 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.67 -12.18 61.2 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.548 1.139 . . . . 0.0 112.808 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.39 88.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.148 1.356 . . . . 0.0 114.222 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -12.65 84.22 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.055 1.312 . . . . 0.0 114.413 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 tp -121.18 143.27 49.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.272 1.829 . . . . 0.0 110.924 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.18 157.79 18.71 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.301 1.04 . . . . 0.0 112.045 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -59.14 -39.84 83.64 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.453 -0.779 . . . . 0.0 112.902 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.71 95.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.579 0.751 . . . . 0.0 112.46 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 -38.92 67.19 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.409 0.684 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.12 85.38 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.113 -0.992 . . . . 0.0 111.536 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.19 -43.23 92.21 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.492 -0.755 . . . . 0.0 112.321 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.67 40.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.453 0.701 . . . . 0.0 112.106 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -36.75 84.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.766 1.226 . . . . 0.0 112.415 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.47 -32.58 71.58 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.104 0.866 . . . . 0.0 113.201 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.81 -3.01 42.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.592 0 C-N-CA 124.757 1.17 . . . . 0.0 115.028 -178.239 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 . . . . . 0 N--CA 1.467 0.385 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.49 44.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.157 0.983 . . . . 0.0 113.388 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -68.73 -38.74 80.39 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.588 0.709 . . . . 0.0 111.488 171.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.74 -49.45 65.94 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.299 1.039 . . . . 0.0 111.044 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -55.36 -40.78 71.71 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.663 0.665 . . . . 0.0 112.528 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.96 83.34 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.705 0.802 . . . . 0.0 112.433 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.85 -48.88 72.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.03 -41.57 95.14 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.309 1.443 . . . . 0.0 111.937 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -60.13 -27.06 66.75 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.34 -0.85 . . . . 0.0 112.941 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.14 -31.83 34.0 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.07 -33.63 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.688 -1.257 . . . . 0.0 112.344 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.85 -26.38 68.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.878 1.271 . . . . 0.0 112.625 170.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -98.23 11.4 38.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.426 1.89 . . . . 0.0 112.679 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 61.34 21.03 11.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.903 2.081 . . . . 0.0 115.214 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -99.64 -10.72 21.65 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.64 1.576 . . . . 0.0 114.365 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -126.68 137.47 53.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.971 1.708 . . . . 0.0 108.686 173.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -84.64 157.69 21.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.171 0.988 . . . . 0.0 112.601 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -54.44 -53.76 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.727 1.211 . . . . 0.0 110.848 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.57 -32.15 73.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.591 0.757 . . . . 0.0 111.762 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -72.33 -41.75 66.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.778 0.831 . . . . 0.0 111.297 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -66.33 -29.38 69.56 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.379 -1.45 . . . . 0.0 112.412 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.45 -47.72 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.676 -0.64 . . . . 0.0 109.987 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -25.92 63.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.815 1.189 . . . . 0.0 113.858 -173.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.56 1.144 . . . . 0.0 113.114 173.205 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.88 55.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.126 0.97 . . . . 0.0 113.422 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.5 -51.13 70.69 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.199 0.909 . . . . 0.0 111.997 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.27 -40.04 81.99 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.97 -0.456 . . . . 0.0 111.37 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.0 mt -60.51 -48.43 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.325 1.05 . . . . 0.0 110.882 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.55 -37.9 88.05 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.619 -0.676 . . . . 0.0 112.139 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.3 m -62.8 -43.21 99.39 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.125 0.875 . . . . 0.0 110.986 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -66.2 -41.09 90.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.177 0.991 . . . . 0.0 112.257 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.77 -37.73 73.39 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -73.35 -33.84 65.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.709 0.686 . . . . 0.0 112.336 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -73.05 -12.36 60.89 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.48 1.112 . . . . 0.0 113.258 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.32 9.9 83.04 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.6 1.095 . . . . 0.0 114.867 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.47 -6.12 88.0 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.291 1.424 . . . . 0.0 114.245 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 tp -131.95 145.07 51.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.35 1.86 . . . . 0.0 110.573 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.34 156.8 20.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.148 0.979 . . . . 0.0 111.732 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -66.23 -35.43 80.4 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.251 -0.906 . . . . 0.0 112.705 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.81 95.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 112.39 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.83 -37.78 73.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.581 0.752 . . . . 0.0 111.791 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.06 91.93 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.509 -0.744 . . . . 0.0 111.721 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.86 -44.98 93.84 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.141 -0.974 . . . . 0.0 111.553 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.33 48.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.687 0.795 . . . . 0.0 111.7 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.32 -35.53 77.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.64 1.176 . . . . 0.0 112.239 -175.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.93 -33.66 72.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.298 0.954 . . . . 0.0 112.749 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.02 7.56 7.1 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.615 1.166 . . . . 0.0 114.103 170.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 C-N-CA 124.824 1.202 . . . . 0.0 115.235 176.582 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -32.45 62.73 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -75.41 -37.29 60.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.895 0.878 . . . . 0.0 111.873 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.18 -49.21 65.47 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.269 1.028 . . . . 0.0 111.499 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.91 -37.42 79.4 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.77 0.828 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.13 94.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.611 0.765 . . . . 0.0 112.371 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.91 -50.09 45.67 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.327 1.051 . . . . 0.0 110.991 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.661 1.184 . . . . 0.0 111.797 -173.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -60.36 -29.14 68.72 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.475 -0.766 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.08 44.26 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.45 -35.47 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 120.827 -1.171 . . . . 0.0 111.686 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.81 -31.4 72.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.33 1.052 . . . . 0.0 112.946 171.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -86.58 6.15 32.2 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.546 1.538 . . . . 0.0 113.548 174.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.38 37.97 29.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.918 1.687 . . . . 0.0 113.302 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -102.95 -17.05 15.65 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.12 1.768 . . . . 0.0 113.302 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -127.1 141.11 51.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.947 1.699 . . . . 0.0 109.404 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -90.25 159.19 16.82 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.637 1.175 . . . . 0.0 113.755 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.4 mm -55.83 -53.33 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.131 1.373 . . . . 0.0 110.858 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.86 -30.81 67.3 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.516 -0.74 . . . . 0.0 112.144 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.03 -46.37 81.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.2 1.0 . . . . 0.0 111.103 171.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.45 -30.72 71.55 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.705 -1.247 . . . . 0.0 112.618 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.4 t -73.63 -42.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 t -71.33 -27.75 63.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.234 0.924 . . . . 0.0 113.405 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 124.417 1.087 . . . . 0.0 113.372 173.804 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.26 69.58 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.03 -51.89 67.7 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.1 0.864 . . . . 0.0 110.964 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.44 -41.42 98.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.799 0.84 . . . . 0.0 112.048 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.46 -49.5 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.188 0.995 . . . . 0.0 110.433 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.4 -38.2 89.25 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.401 0.546 . . . . 0.0 111.79 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.1 m -61.03 -47.3 87.03 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.056 0.844 . . . . 0.0 110.934 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.7 -45.36 94.32 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.501 0.591 . . . . 0.0 111.602 173.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -66.33 -35.26 79.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.587 0.755 . . . . 0.0 112.926 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.0 -36.31 61.97 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.692 -0.63 . . . . 0.0 112.688 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -72.97 -13.51 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.898 1.279 . . . . 0.0 113.636 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.48 8.55 77.25 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.537 1.065 . . . . 0.0 114.719 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.63 3.91 80.87 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.136 1.827 . . . . 0.0 114.863 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 tp -143.6 153.02 42.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.375 1.87 . . . . 0.0 110.145 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -100.06 157.16 16.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.041 1.336 . . . . 0.0 111.795 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -66.18 -32.4 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.142 -0.974 . . . . 0.0 113.243 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.31 98.35 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.847 0.859 . . . . 0.0 112.425 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.71 70.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.132 0.573 . . . . 0.0 111.363 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.39 89.74 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.834 0.743 . . . . 0.0 111.339 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -59.82 -45.9 90.94 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.465 -0.772 . . . . 0.0 112.639 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.59 69.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.819 0.847 . . . . 0.0 112.387 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.85 -37.08 78.89 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.811 1.244 . . . . 0.0 111.927 -175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.35 -32.79 68.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.11 -0.84 17.86 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.271 0 C-N-CA 124.893 1.235 . . . . 0.0 115.362 174.798 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -30.23 52.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.593 1.157 . . . . 0.0 113.232 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.78 -35.47 64.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.801 0.84 . . . . 0.0 111.615 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.17 -52.43 62.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.973 0.909 . . . . 0.0 110.532 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.51 -39.12 72.79 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.484 -0.76 . . . . 0.0 112.824 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.53 77.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.636 0.774 . . . . 0.0 112.477 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.09 -48.1 72.07 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.172 0.989 . . . . 0.0 111.079 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.06 -36.72 84.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.992 0.917 . . . . 0.0 111.864 -173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -59.52 -33.73 71.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.83 58.93 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.498 0.59 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.9 -33.1 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.251 -0.905 . . . . 0.0 111.726 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -63.96 -26.59 68.65 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.244 1.018 . . . . 0.0 112.627 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.49 14.01 31.35 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.277 1.831 . . . . 0.0 112.249 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 61.78 18.89 10.11 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.379 1.872 . . . . 0.0 115.251 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -99.16 -10.79 22.04 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.134 1.374 . . . . 0.0 114.327 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -129.73 135.66 48.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.894 1.678 . . . . 0.0 108.776 177.106 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 m -84.49 160.38 20.55 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mm -55.83 -52.7 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.294 1.038 . . . . 0.0 110.891 175.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.51 -32.71 72.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -66.73 -45.46 78.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.061 0.944 . . . . 0.0 110.525 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.63 -27.54 68.46 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 112.901 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.1 t -75.43 -40.12 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 118.773 0.715 . . . . 0.0 110.768 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -30.59 62.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.454 1.025 . . . . 0.0 113.31 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.059 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.751 0.31 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.05 61.77 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.868 0.867 . . . . 0.0 113.0 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -56.54 -48.48 77.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.086 1.354 . . . . 0.0 112.471 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.46 -40.96 73.37 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.279 0.631 . . . . 0.0 111.377 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.77 -47.31 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.005 0.922 . . . . 0.0 111.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.58 -38.62 91.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.351 0.523 . . . . 0.0 112.187 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -61.97 -46.2 90.31 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.55 0.614 . . . . 0.0 111.136 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -65.21 -42.41 93.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.138 0.975 . . . . 0.0 112.428 176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -63.78 -43.37 96.57 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -72.14 -37.29 69.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.404 0.547 . . . . 0.0 112.386 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.19 -15.94 63.51 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.426 1.09 . . . . 0.0 113.386 173.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.19 73.55 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.047 1.308 . . . . 0.0 114.337 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.23 -7.04 88.91 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.925 1.25 . . . . 0.0 114.652 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.84 141.7 46.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.769 2.028 . . . . 0.0 110.757 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.45 159.64 17.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.176 0.99 . . . . 0.0 112.427 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -56.19 -43.1 78.14 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.247 1.019 . . . . 0.0 112.921 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.83 98.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.572 0.749 . . . . 0.0 112.17 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.0 -36.77 69.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.429 0.692 . . . . 0.0 112.161 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -46.69 88.97 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.223 -0.923 . . . . 0.0 111.599 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -61.16 -44.77 96.79 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.722 0.692 . . . . 0.0 111.789 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.7 64.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.566 0.746 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.26 -35.69 73.95 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.67 1.188 . . . . 0.0 112.198 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.0 -35.27 80.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.07 -1.019 . . . . 0.0 112.511 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.65 -10.36 59.37 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.475 0 C-N-CA 125.176 1.369 . . . . 0.0 115.339 -178.098 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 -35.33 58.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.41 0.684 . . . . 0.0 112.29 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.94 -35.18 64.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.13 0.972 . . . . 0.0 111.896 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 mt -69.04 -43.0 75.57 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.556 1.142 . . . . 0.0 111.553 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.25 -40.56 86.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.528 1.058 . . . . 0.0 112.322 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.13 92.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.305 0.642 . . . . 0.0 112.363 177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.8 tp -70.14 -49.8 47.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.932 0.893 . . . . 0.0 111.327 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.6 -42.79 86.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.403 1.481 . . . . 0.0 112.217 -173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -32.54 72.82 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.064 -1.023 . . . . 0.0 112.31 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.39 70.09 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.54 -0.725 . . . . 0.0 111.975 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 p -79.0 -32.12 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.927 -1.108 . . . . 0.0 112.508 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -69.72 -25.91 64.08 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.82 8.12 38.71 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.552 1.541 . . . . 0.0 114.027 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.9 t30 58.8 27.04 15.51 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.587 1.955 . . . . 0.0 114.603 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -83.63 -23.54 31.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.591 1.156 . . . . 0.0 112.358 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.87 143.01 51.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.857 2.063 . . . . 0.0 108.572 -175.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -91.26 159.34 16.09 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.859 -1.15 . . . . 0.0 113.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.3 mm -55.24 -53.12 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.303 1.441 . . . . 0.0 110.429 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -66.62 -32.41 73.71 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.638 -0.664 . . . . 0.0 111.804 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.69 -46.02 70.12 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.348 1.059 . . . . 0.0 111.213 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.78 68.04 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.187 -0.946 . . . . 0.0 113.068 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -76.49 -41.82 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.427 1.091 . . . . 0.0 111.216 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -30.37 62.24 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.409 1.004 . . . . 0.0 113.087 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 123.644 0.777 . . . . 0.0 112.831 173.503 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 120.879 0.371 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.27 -39.29 63.78 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.31 -50.15 74.15 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.014 0.825 . . . . 0.0 110.914 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.29 -41.4 98.46 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.194 0.997 . . . . 0.0 111.857 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.053 0.941 . . . . 0.0 110.955 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.8 -38.44 90.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.656 0.662 . . . . 0.0 112.105 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.0 -47.82 83.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.499 0.72 . . . . 0.0 110.882 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -68.67 -38.5 80.43 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.861 -0.524 . . . . 0.0 112.399 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.12 -46.23 88.28 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.864 0.866 . . . . 0.0 112.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -70.37 -33.26 71.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.083 0.553 . . . . 0.0 112.476 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.68 -12.27 60.16 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.373 1.069 . . . . 0.0 113.541 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.63 10.23 84.6 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.817 1.199 . . . . 0.0 115.295 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.33 86.99 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.979 1.276 . . . . 0.0 114.04 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 tp -136.93 141.45 42.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.647 1.979 . . . . 0.0 110.432 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -84.48 161.26 20.34 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.026 0.93 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -64.68 -36.95 85.94 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.022 -1.049 . . . . 0.0 111.785 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.86 65.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 113.422 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.97 -41.74 15.58 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.093 0.957 . . . . 0.0 111.446 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.8 84.02 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.468 -0.77 . . . . 0.0 111.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.01 -41.73 88.44 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.829 0.851 . . . . 0.0 112.131 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.54 71.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.335 0.654 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.83 -33.44 66.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.945 0.898 . . . . 0.0 112.402 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.08 -35.23 79.37 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.055 0.942 . . . . 0.0 112.337 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 0.32 44.13 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.665 0 C-N-CA 124.631 1.11 . . . . 0.0 115.413 176.395 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.49 -33.26 66.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.752 0.821 . . . . 0.0 112.769 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.2 -36.91 74.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.021 0.928 . . . . 0.0 111.765 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.25 -49.08 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.383 1.073 . . . . 0.0 111.387 171.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.05 -37.99 78.32 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.413 -0.804 . . . . 0.0 112.716 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.12 78.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.773 0.829 . . . . 0.0 112.38 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.22 -45.62 83.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.656 1.183 . . . . 0.0 111.053 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.9 -44.42 85.31 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.799 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 m -60.44 -33.67 72.87 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.775 -1.203 . . . . 0.0 112.576 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.98 71.95 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.598 0.635 . . . . 0.0 112.498 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.8 -31.84 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 120.7 -1.25 . . . . 0.0 112.954 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -65.38 -30.16 70.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.469 1.108 . . . . 0.0 112.552 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -93.92 10.27 34.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.869 1.667 . . . . 0.0 113.068 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.339 0.8 OUTLIER 50.45 31.44 5.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.075 2.55 . . . . 0.0 115.546 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.88 -32.43 57.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.469 1.508 . . . . 0.0 111.9 165.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -117.28 140.3 49.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 108.978 -174.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.3 m -85.77 156.88 20.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.922 0.889 . . . . 0.0 113.262 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -53.99 -50.65 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.524 1.53 . . . . 0.0 111.516 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -78.06 -25.66 47.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -67.21 -43.11 82.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.267 0.627 . . . . 0.0 110.638 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -63.07 -30.28 71.47 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.184 -0.948 . . . . 0.0 112.519 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.48 -41.26 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.289 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -23.77 62.54 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 CA--C 1.542 0.645 0 C-N-CA 124.817 1.247 . . . . 0.0 113.078 172.724 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 121.208 0.528 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.58 -36.28 64.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.816 0.847 . . . . 0.0 113.017 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -69.06 -39.72 78.96 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.932 1.242 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.97 -41.28 95.59 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.579 0.752 . . . . 0.0 110.808 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.01 -48.24 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.294 1.038 . . . . 0.0 110.695 174.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.59 -44.93 96.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.005 0.82 . . . . 0.0 111.808 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.6 m -56.55 -48.37 77.43 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.695 0.679 . . . . 0.0 111.668 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.12 -33.78 75.14 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.97 -41.81 77.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.708 0.803 . . . . 0.0 112.307 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -71.77 -33.4 68.6 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.737 -0.602 . . . . 0.0 112.456 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.75 -14.75 61.61 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.559 1.144 . . . . 0.0 113.273 172.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.88 8.18 87.75 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.103 1.335 . . . . 0.0 114.817 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.6 -14.43 82.11 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.846 1.213 . . . . 0.0 114.416 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tt -131.91 135.96 47.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.617 1.967 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.3 158.5 19.05 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 0.0 113.212 -172.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -57.0 -40.0 75.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.991 -1.068 . . . . 0.0 112.927 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.74 92.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.382 0.673 . . . . 0.0 112.15 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.15 73.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.924 0.889 . . . . 0.0 111.518 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -49.37 77.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.004 0.82 . . . . 0.0 111.099 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.37 -38.39 86.82 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.374 -0.829 . . . . 0.0 112.558 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -59.17 5.14 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.842 0.746 . . . . 0.0 111.293 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.48 -36.73 81.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.481 1.113 . . . . 0.0 112.905 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.13 -33.27 73.19 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.755 0.822 . . . . 0.0 112.56 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.46 -2.33 45.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.588 0 C-N-CA 124.331 0.967 . . . . 0.0 114.815 -178.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.64 63.8 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.94 0.896 . . . . 0.0 113.046 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -71.92 -39.86 69.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.613 0.765 . . . . 0.0 111.571 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -65.64 -50.7 64.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.102 0.961 . . . . 0.0 111.004 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.79 -38.5 82.08 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.913 0.779 . . . . 0.0 112.693 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.17 95.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.275 0.63 . . . . 0.0 111.952 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.94 -48.54 52.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.145 0.978 . . . . 0.0 111.529 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.44 -43.91 84.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.582 1.553 . . . . 0.0 112.087 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -63.57 -29.13 70.43 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.615 -0.678 . . . . 0.0 112.276 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -36.34 64.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.605 0.762 . . . . 0.0 112.156 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -78.29 -33.98 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.627 1.103 . . . . 0.0 112.749 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -68.78 -18.67 64.24 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -99.23 9.59 43.1 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.177 1.391 . . . . 0.0 112.74 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.05 20.71 9.86 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.193 1.797 . . . . 0.0 114.642 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -81.23 -27.27 35.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.118 0.967 . . . . 0.0 111.979 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.609 HD13 ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -125.28 159.75 30.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.706 2.002 . . . . 0.0 109.297 -179.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.609 ' H ' HD13 ' A' ' 28' ' ' LEU . 50.0 m -116.84 158.29 24.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.827 1.651 . . . . 0.0 112.083 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -51.04 -51.86 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.311 1.444 . . . . 0.0 111.234 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.39 -30.32 61.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -75.15 -25.56 58.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.311 1.044 . . . . 0.0 112.105 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 -39.04 51.91 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.266 -0.896 . . . . 0.0 111.786 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.98 -41.4 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.953 0.901 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -67.29 -26.47 66.56 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 124.471 1.108 . . . . 0.0 112.52 175.689 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.82 79.97 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 112.435 -173.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.029 . . . . 0.0 110.899 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.19 -40.29 95.58 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.054 0.941 . . . . 0.0 111.856 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.73 -49.4 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.83 0.852 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.02 -37.93 89.14 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.02 -0.514 . . . . 0.0 111.662 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.6 m -62.81 -45.48 92.43 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.11 0.868 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -66.78 -43.99 82.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.742 0.701 . . . . 0.0 112.27 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.41 -44.9 95.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.272 1.029 . . . . 0.0 111.826 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.0 -33.42 72.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.29 -11.19 59.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.771 1.228 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.47 10.86 83.95 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.614 1.102 . . . . 0.0 114.302 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.83 2.53 87.35 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.221 1.867 . . . . 0.0 114.704 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 tp -147.42 138.47 23.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.824 2.049 . . . . 0.0 110.057 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.97 163.06 27.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.487 -0.758 . . . . 0.0 111.515 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -62.17 -41.25 98.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.266 -0.896 . . . . 0.0 111.958 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -37.62 88.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.059 0.544 . . . . 0.0 111.88 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -40.52 63.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.312 0.645 . . . . 0.0 112.016 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.24 81.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.625 0.77 . . . . 0.0 111.481 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.02 -42.6 94.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.888 0.475 . . . . 0.0 111.572 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.99 50.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.622 0.769 . . . . 0.0 112.515 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -35.31 80.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 112.273 -177.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.4 -35.0 75.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.054 0.843 . . . . 0.0 112.574 172.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.98 -1.68 48.98 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.097 1.359 . . . . 0.0 114.222 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.731 0 C-N-CA 124.901 1.238 . . . . 0.0 115.395 178.162 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 -31.46 44.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 113.243 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.83 -40.22 87.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.241 0.543 . . . . 0.0 111.461 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 mt -65.84 -48.3 72.08 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.942 0.897 . . . . 0.0 111.226 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.94 -38.71 76.46 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.106 0.866 . . . . 0.0 112.94 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.54 75.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.913 0.885 . . . . 0.0 111.874 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.16 -34.96 75.79 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.218 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.9 -41.65 70.99 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.834 1.654 . . . . 0.0 112.323 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.21 -34.28 74.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.404 1.002 . . . . 0.0 112.612 169.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.13 68.75 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.65 -0.656 . . . . 0.0 111.96 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -81.66 -32.59 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 120.849 -1.157 . . . . 0.0 112.036 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -66.65 -32.19 73.36 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 112.386 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.55 9.78 22.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.815 1.246 . . . . 0.0 113.414 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 t30 59.7 27.1 16.29 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.656 1.982 . . . . 0.0 114.926 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -87.36 -32.14 19.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.005 1.322 . . . . 0.0 112.353 172.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 138.64 47.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.408 1.483 . . . . 0.0 110.088 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -87.29 154.94 20.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.219 1.008 . . . . 0.0 112.625 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -54.89 -49.1 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.695 1.198 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.59 -26.27 57.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.284 -0.885 . . . . 0.0 113.279 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -70.8 -39.61 73.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.662 -0.648 . . . . 0.0 110.151 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.84 69.56 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.853 -1.155 . . . . 0.0 112.727 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.13 -43.61 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.449 0.7 . . . . 0.0 111.118 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 -26.94 64.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.797 1.18 . . . . 0.0 113.053 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 124.704 1.202 . . . . 0.0 113.261 172.013 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.43 -34.23 61.02 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.007 -1.058 . . . . 0.0 113.013 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.54 -51.57 68.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.962 0.905 . . . . 0.0 110.78 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.15 -39.85 94.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.766 0.826 . . . . 0.0 111.613 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.7 -43.69 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.016 0.926 . . . . 0.0 111.275 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.43 -42.39 98.67 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.683 0.793 . . . . 0.0 112.199 171.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.4 m -64.76 -44.55 89.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.615 0.766 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.987 1.315 . . . . 0.0 111.885 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.73 -44.49 85.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.659 0.784 . . . . 0.0 112.526 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.98 -32.96 71.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.805 0.73 . . . . 0.0 112.586 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.34 -14.38 61.28 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.89 1.276 . . . . 0.0 113.486 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.26 12.69 81.89 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.017 1.294 . . . . 0.0 114.451 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.8 89.09 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 124.707 1.146 . . . . 0.0 114.557 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.27 136.41 39.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.887 1.675 . . . . 0.0 110.687 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.71 155.72 33.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.579 0.752 . . . . 0.0 111.897 172.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -60.62 -40.05 90.44 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.299 -0.876 . . . . 0.0 112.598 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.3 88.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.599 0.76 . . . . 0.0 112.414 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.85 -38.85 66.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 111.982 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.56 84.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.8 -43.74 94.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.555 0.742 . . . . 0.0 112.279 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -52.09 66.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.91 0.884 . . . . 0.0 112.29 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mp -70.93 -35.58 72.3 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.97 1.308 . . . . 0.0 112.396 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.58 -34.5 77.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.245 0.93 . . . . 0.0 112.563 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.44 -0.3 25.43 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 170.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.548 0 C-N-CA 125.419 1.485 . . . . 0.0 115.561 178.595 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.43 30.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.913 0.885 . . . . 0.0 113.108 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.99 -35.87 81.76 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.884 0.874 . . . . 0.0 112.074 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.89 -49.8 66.75 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.431 1.092 . . . . 0.0 111.358 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.7 -37.96 74.41 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.77 87.94 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.583 0.753 . . . . 0.0 112.335 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.94 -38.23 37.7 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.586 1.154 . . . . 0.0 111.93 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.81 -36.7 84.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.635 1.174 . . . . 0.0 112.238 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -60.91 -33.71 73.56 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 112.811 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 -32.98 63.87 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.663 -0.648 . . . . 0.0 112.118 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -83.08 -31.83 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.228 -0.92 . . . . 0.0 111.818 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.26 -32.76 72.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.456 1.102 . . . . 0.0 112.482 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -97.8 15.9 22.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.542 1.537 . . . . 0.0 113.156 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 54.99 26.04 7.57 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.529 2.332 . . . . 0.0 116.195 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -83.57 -25.88 30.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.934 1.294 . . . . 0.0 112.654 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -122.38 135.64 54.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.948 1.699 . . . . 0.0 109.272 -175.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 m -83.91 157.15 22.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.124 0.97 . . . . 0.0 112.961 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.99 -49.43 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.24 -31.7 67.86 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.184 -0.947 . . . . 0.0 112.568 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -66.71 -44.18 82.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.037 0.935 . . . . 0.0 110.508 173.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -64.0 -27.6 69.23 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.383 -0.823 . . . . 0.0 112.724 177.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.43 -38.72 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.96 0.904 . . . . 0.0 111.467 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -28.76 60.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.125 -0.984 . . . . 0.0 113.438 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 124.639 1.176 . . . . 0.0 113.712 175.265 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 N--CA 1.472 0.675 0 CA-C-O 120.957 0.408 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.44 -30.9 70.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 112.99 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -62.43 -52.62 62.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.197 0.908 . . . . 0.0 110.459 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.63 -41.2 97.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.471 0.709 . . . . 0.0 111.456 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.18 -47.68 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.278 1.031 . . . . 0.0 111.191 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.62 -39.36 94.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.658 0.663 . . . . 0.0 111.69 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.2 m -62.45 -45.16 94.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.307 0.643 . . . . 0.0 111.101 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.47 -41.39 84.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.703 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.51 -44.61 95.83 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.874 0.761 . . . . 0.0 111.48 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.98 -37.12 75.65 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.907 -0.495 . . . . 0.0 112.127 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.88 -17.94 62.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.62 75.38 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.859 1.218 . . . . 0.0 114.349 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.1 1.85 83.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.157 1.837 . . . . 0.0 114.892 173.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -142.96 139.58 30.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.093 1.757 . . . . 0.0 110.653 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.0 154.02 39.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.575 0.75 . . . . 0.0 112.26 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -60.09 -41.31 92.23 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 112.254 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.32 99.06 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.39 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.12 82.53 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.767 -0.583 . . . . 0.0 111.643 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.13 78.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.324 -0.86 . . . . 0.0 111.423 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.26 -39.53 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.25 -0.906 . . . . 0.0 112.579 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.26 -55.08 27.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.574 0.749 . . . . 0.0 112.315 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.9 -31.18 68.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.812 1.245 . . . . 0.0 112.883 -174.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -34.41 73.26 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.113 0.87 . . . . 0.0 112.818 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.9 59.95 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 168.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.289 0 C-N-CA 125.036 1.303 . . . . 0.0 114.945 -177.794 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.31 39.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.795 0.838 . . . . 0.0 112.293 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -70.26 -34.59 72.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.891 0.476 . . . . 0.0 112.106 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.88 -47.58 71.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 123.607 0.763 . . . . 0.0 111.33 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.04 -39.84 79.43 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.572 1.078 . . . . 0.0 112.664 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.03 79.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.646 0.779 . . . . 0.0 112.457 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.89 -47.67 83.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.177 1.391 . . . . 0.0 111.299 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.55 -44.18 83.09 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.816 1.646 . . . . 0.0 111.6 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -57.39 -34.87 69.32 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.127 -0.983 . . . . 0.0 112.028 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.47 -33.94 60.87 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.03 -31.34 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.959 1.254 . . . . 0.0 112.466 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -62.91 -28.84 70.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.349 1.06 . . . . 0.0 112.263 169.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -96.33 11.33 35.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.528 1.931 . . . . 0.0 113.596 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 55.16 25.75 7.56 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.959 2.504 . . . . 0.0 116.125 177.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -94.22 -14.87 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.602 1.561 . . . . 0.0 114.127 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 141.75 51.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.008 1.723 . . . . 0.0 108.719 172.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -89.94 156.38 18.48 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.73 0.812 . . . . 0.0 112.931 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.45 -52.24 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.419 1.488 . . . . 0.0 111.71 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -79.12 -21.81 46.07 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.628 -0.67 . . . . 0.0 112.415 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -72.68 -40.67 66.09 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.244 -0.91 . . . . 0.0 110.893 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.14 69.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.231 -0.918 . . . . 0.0 112.335 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.27 -45.77 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.871 170.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -27.95 68.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.224 1.374 . . . . 0.0 113.62 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 124.479 1.112 . . . . 0.0 113.524 173.484 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 CA--C 1.539 0.542 0 CA-C-O 120.746 0.308 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.79 64.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.795 0.838 . . . . 0.0 112.642 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.77 -41.41 95.89 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.77 -35.35 67.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.747 0.703 . . . . 0.0 111.492 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.5 -45.65 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.999 0.919 . . . . 0.0 110.452 170.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -44.51 96.51 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 112.047 173.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -59.53 -47.14 86.7 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.835 0.743 . . . . 0.0 111.667 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -61.74 -36.51 81.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.816 1.246 . . . . 0.0 112.388 175.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -74.26 -40.23 62.48 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.341 1.056 . . . . 0.0 113.665 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -73.67 -32.67 64.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.403 -0.811 . . . . 0.0 112.309 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.38 -16.44 64.24 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.472 1.109 . . . . 0.0 113.072 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.52 5.88 88.03 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.596 1.094 . . . . 0.0 114.788 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.7 74.63 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 118.594 1.197 . . . . 0.0 113.721 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 tp -105.34 142.38 35.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.97 1.708 . . . . 0.0 110.99 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -85.56 158.76 20.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.05 0.94 . . . . 0.0 111.1 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttp-105 -66.46 -32.01 73.1 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.187 -0.945 . . . . 0.0 112.64 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.66 90.45 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.559 0.744 . . . . 0.0 112.108 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.45 86.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.872 0.869 . . . . 0.0 111.9 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.0 93.82 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.938 0.79 . . . . 0.0 111.869 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -61.89 -41.42 97.86 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.566 -0.709 . . . . 0.0 112.352 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.25 77.11 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.633 0.651 . . . . 0.0 111.021 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.08 -37.56 66.73 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.312 1.445 . . . . 0.0 112.671 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.13 -33.51 74.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.71 -2.62 33.85 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 C-N-CA 125.212 1.386 . . . . 0.0 115.778 177.6 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.98 51.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.182 0.993 . . . . 0.0 113.21 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -76.53 -31.43 57.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.83 -48.71 75.72 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.28 0.632 . . . . 0.0 111.044 170.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.95 -38.62 76.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.244 0.929 . . . . 0.0 112.364 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.43 70.0 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.634 0.774 . . . . 0.0 112.165 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD21 ' HB1' ' A' ' 33' ' ' ALA . 8.8 tt -62.14 -41.69 98.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.419 1.487 . . . . 0.0 112.14 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.68 -44.17 71.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.385 1.874 . . . . 0.0 111.819 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -59.55 -34.99 73.36 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.163 -0.96 . . . . 0.0 112.201 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.47 -33.8 65.03 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.573 -0.705 . . . . 0.0 112.759 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.31 -31.6 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.759 -1.213 . . . . 0.0 112.519 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -65.71 -27.32 68.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.933 0.893 . . . . 0.0 113.119 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -96.85 11.96 33.89 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.959 1.304 . . . . 0.0 113.239 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 t30 59.47 27.11 16.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.728 2.011 . . . . 0.0 115.424 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -90.73 -22.51 21.05 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.261 1.425 . . . . 0.0 113.273 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -123.32 139.93 53.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.604 1.962 . . . . 0.0 109.277 -178.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.3 m -89.28 158.48 17.82 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.193 0.997 . . . . 0.0 113.448 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.6 mm -56.99 -50.04 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.223 -0.923 . . . . 0.0 111.08 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.91 -35.72 82.07 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.419 -0.801 . . . . 0.0 112.446 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -67.6 -44.95 76.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.846 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -63.68 -24.89 67.97 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.144 -0.972 . . . . 0.0 112.806 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -78.44 -43.07 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.152 0.981 . . . . 0.0 111.487 171.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -30.02 66.28 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.954 -1.092 . . . . 0.0 112.79 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.435 1.094 . . . . 0.0 113.391 174.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.478 0.18 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.93 -32.95 71.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -62.73 -50.95 69.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.391 1.076 . . . . 0.0 111.04 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.08 -42.76 99.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.694 1.197 . . . . 0.0 111.459 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.26 -47.29 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.374 1.07 . . . . 0.0 110.851 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.91 -39.42 94.49 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.45 0.7 . . . . 0.0 112.132 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -63.31 -46.83 84.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.772 0.829 . . . . 0.0 110.837 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -65.59 -39.73 91.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.213 0.605 . . . . 0.0 112.143 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.09 -47.64 82.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.253 0.621 . . . . 0.0 111.813 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.29 -34.75 78.06 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -77.77 -3.05 39.38 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 9.86 86.19 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.691 1.139 . . . . 0.0 115.644 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.02 -9.36 86.76 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.185 1.374 . . . . 0.0 114.188 174.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.5 tp -131.98 138.47 48.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.308 1.843 . . . . 0.0 110.392 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.22 154.01 31.43 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 0.0 112.058 174.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -63.7 -36.02 82.46 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.223 -0.923 . . . . 0.0 112.466 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.51 97.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.115 0.966 . . . . 0.0 112.61 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.1 -38.94 72.37 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.533 0.733 . . . . 0.0 111.506 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.6 84.98 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.583 -0.698 . . . . 0.0 111.434 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.06 -43.67 91.76 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.835 0.743 . . . . 0.0 111.51 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.6 -54.36 46.29 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.465 0.706 . . . . 0.0 112.202 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -67.96 -34.54 76.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.052 1.341 . . . . 0.0 112.387 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.0 -33.79 70.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.766 0.826 . . . . 0.0 112.613 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.03 22.34 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 169.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.589 0 C-N-CA 124.646 1.117 . . . . 0.0 115.215 175.717 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -33.66 57.52 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.827 0.739 . . . . 0.0 112.663 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.51 -34.93 67.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.996 0.919 . . . . 0.0 112.07 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.32 -47.89 63.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.9 0.88 . . . . 0.0 111.254 170.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.72 -39.73 71.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.716 0.806 . . . . 0.0 112.387 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 -30.23 66.77 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.69 -48.52 38.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 109.919 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -67.58 -39.99 84.87 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.425 1.49 . . . . 0.0 111.727 -174.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 p -61.85 -30.59 70.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.791 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.83 55.02 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.704 0.801 . . . . 0.0 111.74 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.51 -33.16 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.175 -0.953 . . . . 0.0 112.188 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -69.67 -19.59 63.59 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -108.32 18.79 20.64 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.185 1.794 . . . . 0.0 112.858 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 60.58 21.98 11.77 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.37 1.868 . . . . 0.0 115.255 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -85.23 -25.91 27.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.482 1.113 . . . . 0.0 112.524 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -130.46 151.29 51.1 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.418 1.887 . . . . 0.0 108.584 -177.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.428 ' H ' HD13 ' A' ' 28' ' ' LEU . 3.9 m -93.52 156.9 16.48 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.608 1.163 . . . . 0.0 112.936 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.6 -53.86 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.664 1.186 . . . . 0.0 110.477 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.39 -27.88 65.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -74.45 -42.31 59.31 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.781 0.832 . . . . 0.0 111.088 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -25.87 68.1 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 120.907 -1.121 . . . . 0.0 112.031 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.67 -43.01 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.326 1.05 . . . . 0.0 111.231 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -28.9 64.35 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.327 0.967 . . . . 0.0 113.348 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 124.108 0.963 . . . . 0.0 113.226 173.051 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.9 72.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.923 0.889 . . . . 0.0 113.19 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -60.94 -51.82 67.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 0.0 111.2 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.68 -41.45 90.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.294 1.038 . . . . 0.0 111.734 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.0 mt -62.54 -49.75 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.374 1.07 . . . . 0.0 111.339 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.5 -38.16 90.08 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.43 -0.794 . . . . 0.0 112.262 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.8 m -62.29 -45.38 93.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.558 0.617 . . . . 0.0 111.366 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -69.18 -40.23 78.25 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.493 0.588 . . . . 0.0 112.343 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.78 -46.36 89.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.941 0.896 . . . . 0.0 111.752 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.61 -35.43 72.97 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.17 -13.34 61.52 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.444 1.098 . . . . 0.0 113.516 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.08 11.76 83.28 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.686 1.136 . . . . 0.0 114.782 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.53 -9.74 86.78 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.176 1.369 . . . . 0.0 113.674 171.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -137.67 138.12 39.09 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.544 1.938 . . . . 0.0 110.143 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.56 156.67 29.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.837 0.855 . . . . 0.0 112.138 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -63.53 -35.82 81.73 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.957 -1.09 . . . . 0.0 112.739 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.65 94.64 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.809 0.844 . . . . 0.0 112.788 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.12 71.07 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.558 -0.714 . . . . 0.0 111.514 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.09 96.17 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.652 -0.655 . . . . 0.0 111.5 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.04 -43.33 95.44 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.37 59.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.537 0.608 . . . . 0.0 111.849 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -38.11 88.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.548 1.139 . . . . 0.0 112.105 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.56 -34.48 75.9 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.202 -0.936 . . . . 0.0 112.824 174.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.64 1.82 28.33 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 O-C-N 120.844 -1.16 . . . . 0.0 113.892 -179.518 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.22 56.18 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.592 0.757 . . . . 0.0 112.617 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -35.67 69.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.676 0.79 . . . . 0.0 111.529 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.64 -46.88 77.54 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.283 1.033 . . . . 0.0 111.059 169.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.61 -37.02 80.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.019 0.827 . . . . 0.0 113.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.29 87.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.55 -48.05 73.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.275 1.03 . . . . 0.0 110.958 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.9 mt -66.75 -40.03 88.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.086 1.354 . . . . 0.0 111.976 -173.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.86 -32.04 72.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.135 0.879 . . . . 0.0 113.243 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.85 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.836 0.744 . . . . 0.0 111.955 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.16 -34.22 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 121.091 -1.005 . . . . 0.0 112.143 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 tpt85 -69.96 -27.61 64.87 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.19 12.5 22.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.273 1.429 . . . . 0.0 113.208 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.24 25.22 14.62 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.919 2.087 . . . . 0.0 115.101 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -83.18 -26.34 30.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.822 1.249 . . . . 0.0 112.419 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.15 148.0 49.5 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.694 1.998 . . . . 0.0 108.497 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -91.46 165.16 13.53 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.282 -1.511 . . . . 0.0 113.452 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.87 -47.03 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.024 0.93 . . . . 0.0 110.093 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.07 -33.06 61.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.515 -0.74 . . . . 0.0 111.795 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.65 -40.22 66.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.538 0.735 . . . . 0.0 111.722 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.5 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.211 -1.556 . . . . 0.0 112.26 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.96 -44.96 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.385 1.074 . . . . 0.0 110.688 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -70.46 -28.78 65.28 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.484 1.038 . . . . 0.0 113.738 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 CA--C 1.543 0.68 0 C-N-CA 124.481 1.112 . . . . 0.0 113.31 175.002 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.19 64.43 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -59.6 -52.86 63.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.127 0.971 . . . . 0.0 111.213 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -58.65 -41.82 86.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.54 1.136 . . . . 0.0 111.715 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.94 -51.52 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.394 1.078 . . . . 0.0 111.163 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.36 -37.16 86.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.552 -0.718 . . . . 0.0 112.357 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.4 m -61.83 -47.54 84.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.616 0.767 . . . . 0.0 111.028 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -67.55 -40.32 84.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -62.89 -46.59 87.09 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.663 0.785 . . . . 0.0 112.589 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.38 -33.82 73.62 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.12 -11.95 60.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.454 1.101 . . . . 0.0 113.64 173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.73 9.14 85.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.056 1.313 . . . . 0.0 115.116 -177.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.48 -8.28 87.66 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.337 1.446 . . . . 0.0 114.209 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 tp -135.21 140.78 45.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.357 1.863 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.04 162.57 16.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -54.16 -47.42 71.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.811 1.244 . . . . 0.0 112.775 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.99 93.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.888 0.875 . . . . 0.0 112.248 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.29 65.86 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 0.0 111.512 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.28 82.07 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.974 -1.079 . . . . 0.0 112.119 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.77 -41.93 95.5 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.776 -0.578 . . . . 0.0 112.171 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.13 -50.01 62.83 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.711 0.687 . . . . 0.0 111.559 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.13 -38.02 87.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.825 0.85 . . . . 0.0 112.635 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.71 -33.2 72.17 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -2.21 39.1 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.574 0 C-N-CA 124.867 1.222 . . . . 0.0 115.363 -179.339 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.95 -40.8 30.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.607 0.763 . . . . 0.0 112.034 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -69.09 -31.66 70.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.647 0.779 . . . . 0.0 112.91 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -70.5 -48.48 55.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 110.822 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.73 -38.49 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.507 1.048 . . . . 0.0 112.501 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.87 97.22 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.277 1.031 . . . . 0.0 112.375 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.13 -50.59 53.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 111.08 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.0 mt -65.36 -36.34 83.69 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 111.58 -172.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -61.92 -32.31 72.7 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.772 0.714 . . . . 0.0 112.92 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.65 62.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.437 -0.789 . . . . 0.0 112.507 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -81.59 -32.95 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.252 -0.905 . . . . 0.0 112.002 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -63.24 -35.66 81.08 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.218 1.007 . . . . 0.0 112.863 170.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -86.09 12.85 8.71 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.573 1.149 . . . . 0.0 113.261 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.9 t30 55.96 28.81 13.22 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.138 2.175 . . . . 0.0 114.923 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -97.92 -18.17 18.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.782 1.633 . . . . 0.0 113.245 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.52 142.55 51.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 109.603 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 m -92.16 157.38 16.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.218 1.407 . . . . 0.0 112.832 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.3 mm -53.97 -53.31 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.005 1.322 . . . . 0.0 110.413 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.11 -30.88 69.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.255 0.622 . . . . 0.0 112.203 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -73.56 -35.98 65.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.247 1.019 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.46 74.11 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.842 -1.161 . . . . 0.0 111.679 173.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.12 -43.5 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.972 0.909 . . . . 0.0 110.518 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -69.71 -25.24 63.77 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.282 0.947 . . . . 0.0 113.335 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 124.136 0.975 . . . . 0.0 113.114 173.151 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.155 0.502 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.77 65.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.921 0.888 . . . . 0.0 112.633 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -59.63 -55.0 39.9 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.837 0.855 . . . . 0.0 110.594 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -58.19 -41.02 83.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.78 0.832 . . . . 0.0 111.997 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.6 mt -63.27 -48.32 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.501 1.12 . . . . 0.0 111.259 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.65 -39.3 93.44 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.373 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -61.34 -45.36 94.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.374 0.988 . . . . 0.0 111.412 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.83 -39.72 87.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.198 0.908 . . . . 0.0 112.245 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.74 -45.7 91.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.627 0.771 . . . . 0.0 112.259 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -71.53 -34.41 70.03 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.693 -0.629 . . . . 0.0 112.668 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.04 -15.42 63.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.264 1.026 . . . . 0.0 113.511 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.29 83.16 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.039 1.305 . . . . 0.0 114.537 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.56 -7.2 88.67 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.842 1.211 . . . . 0.0 114.415 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.73 140.33 46.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.993 2.117 . . . . 0.0 110.376 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.12 155.76 27.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.136 0.975 . . . . 0.0 112.105 175.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -64.71 -34.39 78.2 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.047 -1.033 . . . . 0.0 112.746 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.18 93.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.821 0.848 . . . . 0.0 112.576 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.62 70.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 112.065 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.41 90.44 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.615 -0.678 . . . . 0.0 111.28 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.17 -45.33 87.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.282 -0.886 . . . . 0.0 111.937 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.74 67.93 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.062 0.945 . . . . 0.0 112.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.2 -33.56 74.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.729 1.212 . . . . 0.0 112.705 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.26 -34.89 68.56 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.734 0.814 . . . . 0.0 112.461 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.36 63.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.962 0.905 . . . . 0.0 112.897 173.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.652 0 N-CA-C 116.978 1.551 . . . . 0.0 116.978 163.286 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -26.45 61.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.001 0.921 . . . . 0.0 112.929 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -83.05 -41.7 18.33 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.658 1.183 . . . . 0.0 111.769 172.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.18 -50.03 73.45 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.507 1.123 . . . . 0.0 111.316 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.91 -36.42 76.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.752 0.706 . . . . 0.0 112.827 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.34 65.43 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.911 0.884 . . . . 0.0 112.401 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.41 HD21 ' HB1' ' A' ' 33' ' ' ALA . 10.1 tt -66.06 -40.05 90.61 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.348 1.459 . . . . 0.0 112.053 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.63 -39.67 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.924 1.69 . . . . 0.0 112.21 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.7 m -62.59 -33.16 74.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.306 0.957 . . . . 0.0 112.836 174.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.94 -33.59 72.32 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.478 0.581 . . . . 0.0 112.004 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.88 -32.16 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.159 -0.963 . . . . 0.0 112.351 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -62.52 -32.94 73.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.024 0.93 . . . . 0.0 112.678 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -90.26 10.24 25.51 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.65 1.58 . . . . 0.0 113.942 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t30 62.45 24.57 14.63 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.307 1.843 . . . . 0.0 114.692 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -95.29 -23.87 17.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.223 1.409 . . . . 0.0 113.059 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.4 137.39 54.34 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.299 1.84 . . . . 0.0 108.638 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -87.59 158.65 18.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.274 1.03 . . . . 0.0 113.493 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.38 -52.35 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.497 1.119 . . . . 0.0 110.457 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.55 -34.08 71.85 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.0 -1.063 . . . . 0.0 112.24 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.07 -28.8 67.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.542 1.137 . . . . 0.0 112.226 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' A' ' 19' ' ' LEU . . . -76.77 -44.38 33.2 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.392 -0.817 . . . . 0.0 111.334 170.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.97 -37.69 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.582 1.153 . . . . 0.0 111.269 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -66.35 -23.29 66.32 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.258 1.423 . . . . 0.0 113.109 172.336 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.08 64.57 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 118.997 0.817 . . . . 0.0 112.661 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.99 -54.57 43.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.908 0.883 . . . . 0.0 110.892 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.86 -38.65 91.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.838 0.855 . . . . 0.0 112.023 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.23 -47.23 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 110.953 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.6 mm? -65.86 -37.71 86.9 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.83 -0.544 . . . . 0.0 112.408 174.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.8 m -64.88 -43.86 91.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.885 0.766 . . . . 0.0 111.213 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -67.59 -41.28 84.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.254 1.022 . . . . 0.0 112.095 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.13 -44.83 95.77 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.274 1.03 . . . . 0.0 111.743 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -69.86 -35.29 74.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.394 0.678 . . . . 0.0 112.366 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.35 -14.97 62.36 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.986 1.314 . . . . 0.0 113.523 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.58 7.84 85.59 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.62 1.105 . . . . 0.0 114.526 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.48 -7.31 88.58 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.249 1.404 . . . . 0.0 114.673 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.0 tp -132.35 139.45 48.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.268 1.827 . . . . 0.0 110.562 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -79.2 159.97 27.13 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.546 0.738 . . . . 0.0 112.005 175.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.61 -39.61 91.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.314 1.045 . . . . 0.0 111.751 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.94 96.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.082 0.553 . . . . 0.0 112.111 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.91 77.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.242 0.617 . . . . 0.0 111.881 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.34 82.14 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.736 0.698 . . . . 0.0 111.42 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.651 0.781 . . . . 0.0 112.676 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.17 49.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.747 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.99 -32.75 71.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.648 1.179 . . . . 0.0 112.439 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.22 70.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.034 0.834 . . . . 0.0 112.698 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.87 -4.27 39.89 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 171.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.517 0 C-N-CA 124.818 1.199 . . . . 0.0 116.057 174.56 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.69 63.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.807 0.843 . . . . 0.0 112.657 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.17 -39.16 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.118 0.967 . . . . 0.0 112.464 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.38 -49.01 68.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.446 1.098 . . . . 0.0 111.572 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.53 -37.57 81.59 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.194 -0.941 . . . . 0.0 112.764 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.48 85.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.889 0.875 . . . . 0.0 112.388 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.99 -48.8 70.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.354 1.061 . . . . 0.0 111.349 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.02 -41.62 97.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.349 1.459 . . . . 0.0 111.775 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m -60.55 -33.76 73.15 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.276 -0.89 . . . . 0.0 112.936 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.54 63.98 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.674 0.67 . . . . 0.0 112.276 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.4 -33.22 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.64 1.109 . . . . 0.0 112.774 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -65.3 -29.55 70.32 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.15 0.98 . . . . 0.0 112.392 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -90.45 8.32 34.36 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.62 1.968 . . . . 0.0 113.144 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.72 26.93 15.23 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.54 1.936 . . . . 0.0 115.159 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -93.44 -21.75 19.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.658 1.583 . . . . 0.0 113.065 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -123.13 137.86 54.8 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.373 1.869 . . . . 0.0 109.057 -178.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -85.89 156.31 20.57 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.782 0.833 . . . . 0.0 112.863 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.5 mm -52.43 -53.98 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.26 1.424 . . . . 0.0 111.487 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.05 -24.95 59.6 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -69.08 -43.0 75.45 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.313 -0.867 . . . . 0.0 110.419 169.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.61 -25.41 67.38 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.873 -1.142 . . . . 0.0 112.885 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.8 t -74.21 -46.69 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.109 0.868 . . . . 0.0 110.724 170.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -29.25 68.07 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.765 1.166 . . . . 0.0 113.198 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.547 0.831 0 C-N-CA 124.37 1.068 . . . . 0.0 113.129 173.505 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.32 -34.98 67.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -63.33 -49.92 72.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.787 1.176 . . . . 0.0 111.408 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -61.03 -41.99 97.61 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.71 1.204 . . . . 0.0 111.652 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.42 -48.19 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.272 1.029 . . . . 0.0 110.919 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.3 mm? -62.59 -39.33 93.39 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.234 0.47 . . . . 0.0 112.061 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.2 m -62.02 -45.94 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.403 0.681 . . . . 0.0 110.718 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -67.72 -37.57 82.41 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.35 0.66 . . . . 0.0 112.595 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -66.47 -41.34 89.18 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.753 0.821 . . . . 0.0 112.654 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -73.42 -33.43 64.94 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.462 -0.774 . . . . 0.0 112.401 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.88 -12.44 61.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.549 1.14 . . . . 0.0 113.496 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 7.1 88.52 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.906 1.241 . . . . 0.0 114.625 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.26 -13.74 83.29 Favored Glycine 0 CA--C 1.545 1.917 0 C-N-CA 125.126 1.346 . . . . 0.0 114.006 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -122.51 136.17 54.82 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.877 1.671 . . . . 0.0 110.617 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.86 156.1 30.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.216 1.006 . . . . 0.0 112.219 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -58.85 -39.33 80.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.431 0.692 . . . . 0.0 112.722 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.22 98.42 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.323 0.649 . . . . 0.0 112.009 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.08 -39.83 68.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.663 0.785 . . . . 0.0 111.808 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.04 91.14 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.534 -0.729 . . . . 0.0 111.899 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.6 -45.63 92.03 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.671 -0.643 . . . . 0.0 111.948 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.48 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.843 0.857 . . . . 0.0 111.99 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.46 -31.86 70.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.638 1.175 . . . . 0.0 112.284 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.38 -34.56 68.03 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.085 0.857 . . . . 0.0 112.955 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.41 -1.76 46.88 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 O-C-N 121.027 -1.046 . . . . 0.0 114.49 -178.776 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.2 64.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -74.61 -35.43 62.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.824 0.85 . . . . 0.0 112.154 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.18 -48.69 64.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.314 1.046 . . . . 0.0 111.138 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.92 -39.48 74.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 112.986 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.08 86.01 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.51 -43.65 59.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.233 1.413 . . . . 0.0 110.98 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.72 -38.56 89.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 112.606 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -62.54 -30.41 71.28 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.087 0.858 . . . . 0.0 113.011 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.6 69.09 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.097 0.862 . . . . 0.0 111.664 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.61 -35.5 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.92 -1.113 . . . . 0.0 112.244 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -70.08 -24.7 63.27 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.11 14.16 24.82 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.477 1.511 . . . . 0.0 113.215 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.88 27.05 15.65 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.73 2.012 . . . . 0.0 114.705 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -83.59 -27.71 29.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.75 1.22 . . . . 0.0 112.334 170.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 143.09 51.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.815 1.646 . . . . 0.0 109.312 -172.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -81.6 155.61 25.58 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.14 -0.975 . . . . 0.0 112.474 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.76 -46.67 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.076 1.35 . . . . 0.0 110.696 168.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.66 -35.5 52.34 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.147 -0.971 . . . . 0.0 112.233 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.52 -26.62 62.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.082 0.953 . . . . 0.0 112.197 175.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.46 -40.66 64.0 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.005 -1.059 . . . . 0.0 111.768 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.21 -40.94 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 110.759 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -68.8 -24.28 64.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.69 1.196 . . . . 0.0 112.524 173.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.23 75.85 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.29 -0.881 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -56.99 -52.7 64.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.712 1.205 . . . . 0.0 111.415 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.94 -43.02 95.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.604 1.162 . . . . 0.0 111.536 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.09 -47.55 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.832 0.853 . . . . 0.0 111.343 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.85 -38.32 90.35 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.65 -0.657 . . . . 0.0 111.545 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -61.48 -45.9 92.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 0.0 110.887 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -68.23 -41.91 80.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.019 0.927 . . . . 0.0 112.537 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.23 -45.98 90.89 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.561 1.144 . . . . 0.0 112.098 177.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -70.44 -34.38 72.39 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.81 -13.13 61.24 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.158 0.983 . . . . 0.0 113.312 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.27 82.2 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.809 1.195 . . . . 0.0 114.617 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.53 -8.27 87.71 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.095 1.331 . . . . 0.0 114.135 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -138.05 141.27 40.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.234 1.813 . . . . 0.0 110.788 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.44 154.53 23.91 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.254 1.022 . . . . 0.0 111.604 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.55 -39.7 84.86 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.292 0.637 . . . . 0.0 112.521 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.6 94.67 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 0.0 112.296 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.13 67.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.634 0.774 . . . . 0.0 111.595 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.431 0.693 . . . . 0.0 111.396 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.61 -42.39 88.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.043 0.937 . . . . 0.0 112.688 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.11 79.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.727 0.811 . . . . 0.0 113.059 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -32.82 18.34 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.184 1.394 . . . . 0.0 112.34 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.12 -35.51 79.89 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.011 1.325 . . . . 0.0 112.233 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -15.56 57.57 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 C-N-CA 125.034 1.302 . . . . 0.0 115.927 -179.346 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.242 -0.409 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.25 28.48 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.777 0.717 . . . . 0.0 112.391 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.52 -42.21 95.99 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.678 0.791 . . . . 0.0 111.607 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -71.64 -47.62 53.24 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.869 1.267 . . . . 0.0 112.082 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.0 -38.41 82.53 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.56 1.073 . . . . 0.0 112.615 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.81 93.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.699 0.799 . . . . 0.0 112.461 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.12 -49.1 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.289 1.035 . . . . 0.0 111.1 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.18 -39.91 86.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.158 1.383 . . . . 0.0 111.87 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -62.8 -30.03 71.16 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.256 -0.903 . . . . 0.0 112.605 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.55 -35.54 63.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.197 0.599 . . . . 0.0 112.546 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 p -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.247 -0.908 . . . . 0.0 112.166 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.05 -33.73 76.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 112.484 173.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.8 15.29 13.22 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.379 1.472 . . . . 0.0 113.267 174.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.9 t30 60.62 20.77 10.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.143 1.777 . . . . 0.0 115.431 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -84.73 -28.1 26.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.696 1.198 . . . . 0.0 112.569 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.01 141.87 51.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.87 1.668 . . . . 0.0 109.147 -173.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 m -89.83 159.25 17.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.666 1.186 . . . . 0.0 112.475 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.5 mm -53.37 -53.26 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.748 1.219 . . . . 0.0 110.875 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.0 -30.11 67.34 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.744 -0.598 . . . . 0.0 112.157 -175.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -74.16 -37.56 63.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.551 0.74 . . . . 0.0 111.211 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.7 74.36 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.66 -1.275 . . . . 0.0 111.981 174.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.9 t -71.48 -40.79 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.709 0.804 . . . . 0.0 110.917 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -26.02 62.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.094 0.861 . . . . 0.0 113.269 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.697 1.199 . . . . 0.0 113.694 175.604 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 121.604 0.716 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.9 85.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.243 1.017 . . . . 0.0 112.645 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.86 -51.95 67.51 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.956 0.902 . . . . 0.0 111.1 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.62 -41.67 95.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 111.599 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.91 -48.57 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.073 0.949 . . . . 0.0 111.244 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.84 -37.32 86.35 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.598 -0.689 . . . . 0.0 111.697 175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.3 m -63.13 -45.91 89.74 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.981 0.809 . . . . 0.0 110.835 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -66.51 -40.85 89.43 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.673 0.789 . . . . 0.0 112.354 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.31 -45.78 89.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.887 0.875 . . . . 0.0 111.995 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -71.91 -34.52 69.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.36 -15.15 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.224 1.01 . . . . 0.0 113.561 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.26 11.92 81.49 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.725 1.155 . . . . 0.0 114.7 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.02 90.01 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.256 1.408 . . . . 0.0 114.17 171.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 tp -137.43 140.49 41.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 110.664 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -79.99 157.79 26.72 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.742 0.817 . . . . 0.0 112.42 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -65.8 -34.29 77.82 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.175 -0.953 . . . . 0.0 112.688 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.25 93.6 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.142 0.977 . . . . 0.0 112.358 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.78 -39.13 70.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.453 0.701 . . . . 0.0 111.826 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.7 95.28 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.589 -0.695 . . . . 0.0 111.279 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.58 -46.95 85.85 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.815 0.734 . . . . 0.0 112.051 174.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.72 55.12 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.553 0.741 . . . . 0.0 111.709 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.83 -37.41 81.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.683 1.193 . . . . 0.0 112.187 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.66 -33.96 75.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.998 0.817 . . . . 0.0 113.129 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.55 25.97 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 C-N-CA 124.738 1.161 . . . . 0.0 114.69 -177.406 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.45 -34.33 58.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.498 0.719 . . . . 0.0 112.781 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.92 -36.62 62.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.552 1.141 . . . . 0.0 112.104 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.1 -50.13 67.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.296 1.038 . . . . 0.0 111.267 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.19 -38.03 70.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.177 0.991 . . . . 0.0 113.075 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.56 78.91 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.725 0.81 . . . . 0.0 112.449 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.06 -32.71 67.33 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.018 1.327 . . . . 0.0 112.617 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -72.58 -37.86 68.04 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.467 1.507 . . . . 0.0 112.108 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -65.59 -35.38 80.65 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.064 -1.022 . . . . 0.0 112.366 169.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.05 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -75.95 -30.48 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 120.635 -1.291 . . . . 0.0 112.786 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -68.08 -29.7 68.72 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.1 10.56 40.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.256 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.268 3.3 t-20 51.89 36.12 17.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.104 2.561 . . . . 0.0 114.536 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -77.32 -27.44 52.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.199 1.0 . . . . 0.0 110.808 161.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -113.05 162.9 15.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.787 2.035 . . . . 0.0 109.295 164.426 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.508 ' H ' HD13 ' A' ' 28' ' ' LEU . 73.8 m -121.33 158.01 29.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.52 1.528 . . . . 0.0 111.368 176.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mm -53.5 -47.66 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.884 1.274 . . . . 0.0 111.374 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.77 -29.26 58.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.45 -0.781 . . . . 0.0 112.6 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -73.42 -32.56 64.49 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.427 -0.795 . . . . 0.0 110.886 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.89 87.03 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 120.454 -1.404 . . . . 0.0 111.558 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.39 -38.14 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.763 0.825 . . . . 0.0 110.622 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -71.96 -27.73 62.97 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.076 0.951 . . . . 0.0 112.937 172.677 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.99 62.11 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.465 -0.772 . . . . 0.0 112.875 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.9 -51.62 69.25 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 112.215 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -64.16 -41.1 97.29 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.881 0.472 . . . . 0.0 111.366 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.87 -48.14 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.478 1.111 . . . . 0.0 111.138 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.1 mm? -65.3 -40.14 93.41 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.678 -0.639 . . . . 0.0 112.007 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.8 m -61.78 -46.98 87.22 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 0.698 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -68.97 -38.09 79.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.662 0.785 . . . . 0.0 112.433 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -61.81 -44.21 97.32 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.314 0.961 . . . . 0.0 112.023 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -73.77 -33.57 64.32 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.33 -22.77 59.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.494 1.118 . . . . 0.0 113.799 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.09 10.28 62.7 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.577 1.084 . . . . 0.0 114.759 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.67 86.94 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.665 1.126 . . . . 0.0 113.766 168.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 tp -139.75 139.39 36.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.021 1.728 . . . . 0.0 111.525 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.63 157.92 22.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.458 1.103 . . . . 0.0 112.282 174.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.64 -40.48 83.53 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.633 0.773 . . . . 0.0 112.785 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.722 0.809 . . . . 0.0 112.155 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.55 70.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.622 0.769 . . . . 0.0 111.772 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.17 86.66 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.304 -0.872 . . . . 0.0 111.805 175.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -61.36 -45.65 93.52 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.752 -0.593 . . . . 0.0 111.652 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.97 75.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.483 0.713 . . . . 0.0 112.5 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 mp -71.54 -35.37 70.62 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.811 1.244 . . . . 0.0 112.204 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.94 -35.53 80.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.949 0.795 . . . . 0.0 112.789 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.15 -1.89 34.84 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.565 0 C-N-CA 124.794 1.188 . . . . 0.0 115.68 176.088 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.36 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.1 141.02 20.47 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.854 3.036 . . . . 0.0 112.951 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.27 -164.44 14.74 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.988 1.28 . . . . 0.0 115.24 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 m -76.82 -19.11 57.92 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.307 1.043 . . . . 0.0 113.043 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -83.05 -36.43 24.95 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.099 1.36 . . . . 0.0 113.247 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.257 5.8 t 47.4 -161.1 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.646 2.378 . . . . 0.0 114.617 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.64 19.03 78.96 Favored Glycine 0 CA--C 1.539 1.566 0 O-C-N 120.709 -1.244 . . . . 0.0 115.879 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.52 64.32 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.57 -145.48 49.53 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.436 1.017 . . . . 0.0 114.651 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -113.79 151.84 45.05 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.991 1.716 . . . . 0.0 110.973 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.71 141.75 80.42 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.289 2.659 . . . . 0.0 112.078 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -104.86 154.98 19.34 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.543 1.137 . . . . 0.0 112.882 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -56.2 -26.47 51.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.443 0.697 . . . . 0.0 112.195 164.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.06 -21.72 64.07 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.38 -42.09 13.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.565 1.146 . . . . 0.0 112.223 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -75.24 -47.71 26.83 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 124.899 1.28 . . . . 0.0 112.172 -174.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.65 -34.12 77.14 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.243 -0.91 . . . . 0.0 112.153 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.3 89.05 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.407 1.083 . . . . 0.0 112.672 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 tt -78.17 -42.44 31.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.096 1.358 . . . . 0.0 111.506 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.29 -36.11 82.12 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.15 1.38 . . . . 0.0 113.072 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.4 m -61.51 -36.39 80.4 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.306 0.957 . . . . 0.0 112.541 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.44 71.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.022 0.374 . . . . 0.0 111.751 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 p -84.29 -31.34 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.084 -1.01 . . . . 0.0 112.12 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -62.75 -35.85 81.12 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.148 0.979 . . . . 0.0 112.556 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -88.87 8.54 28.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.46 1.504 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.6 27.51 15.83 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.347 1.859 . . . . 0.0 114.397 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -82.93 -28.5 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.297 1.039 . . . . 0.0 112.038 168.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.16 138.98 53.29 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.017 1.727 . . . . 0.0 109.442 -171.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -80.52 157.01 26.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.919 0.888 . . . . 0.0 112.766 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mm -55.43 -45.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.112 1.365 . . . . 0.0 110.148 168.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.64 -36.32 73.36 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.307 -0.871 . . . . 0.0 111.533 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -43.01 73.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.074 0.95 . . . . 0.0 110.7 176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.05 -25.35 68.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.718 -1.239 . . . . 0.0 113.121 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -77.47 -41.12 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.717 1.207 . . . . 0.0 111.198 171.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -29.11 60.31 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.26 -17.02 53.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.42 1.088 . . . . 0.0 113.921 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.7 tp -72.2 -40.6 67.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.166 1.386 . . . . 0.0 113.551 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.2 m 54.53 82.05 0.25 Allowed Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.168 1.387 . . . . 0.0 110.693 -154.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -59.85 145.78 97.38 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.595 2.863 . . . . 0.0 114.603 -169.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -79.81 153.51 29.08 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.598 1.159 . . . . 0.0 110.994 167.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -30.19 69.22 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.731 0.813 . . . . 0.0 112.735 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.74 -174.37 39.09 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.687 1.137 . . . . 0.0 113.488 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.68 -164.6 34.19 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.751 1.167 . . . . 0.0 113.14 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.49 -134.25 33.09 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.143 0.878 . . . . 0.0 113.451 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -138.4 167.67 21.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.947 1.699 . . . . 0.0 111.332 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.25 -143.53 34.59 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 123.941 0.782 . . . . 0.0 112.552 -168.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.09 107.05 1.91 Allowed Glycine 0 CA--C 1.533 1.212 0 CA-C-N 117.761 0.781 . . . . 0.0 111.927 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.94 -25.33 75.71 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 123.957 0.789 . . . . 0.0 114.813 -171.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.5 m -80.3 43.21 0.62 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.231 1.812 . . . . 0.0 113.484 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.4 tpt -82.66 97.95 8.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.572 1.149 . . . . 0.0 109.239 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -78.94 150.66 32.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.291 1.036 . . . . 0.0 113.007 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.56 -35.75 66.08 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -57.32 -50.47 72.85 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.11 0.964 . . . . 0.0 111.547 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.66 -38.75 87.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.321 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.409 HG21 ' HG ' ' A' ' 73' ' ' LEU . 63.1 mt -62.1 -50.51 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.701 0.8 . . . . 0.0 111.194 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.86 -39.91 94.31 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.119 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.9 m -60.29 -46.76 88.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.914 0.779 . . . . 0.0 110.961 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.34 -38.44 71.64 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.38 -44.88 95.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.879 0.763 . . . . 0.0 111.375 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -70.98 -36.2 72.42 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.72 -15.33 62.19 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.386 1.075 . . . . 0.0 113.375 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.33 10.52 79.89 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.841 1.21 . . . . 0.0 114.403 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.68 -5.97 89.45 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.562 1.554 . . . . 0.0 114.622 173.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.5 tp -133.05 137.29 46.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.095 1.758 . . . . 0.0 110.571 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.16 154.47 40.3 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 0.0 112.425 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -61.27 -38.01 85.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.491 0.716 . . . . 0.0 112.302 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.18 96.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.229 1.012 . . . . 0.0 111.986 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.04 81.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.566 0.746 . . . . 0.0 111.889 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.62 77.12 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.069 0.548 . . . . 0.0 111.223 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.02 -42.52 99.25 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.388 -0.82 . . . . 0.0 112.312 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.96 70.63 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.357 0.663 . . . . 0.0 112.483 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 mp -71.14 -31.97 68.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.232 1.013 . . . . 0.0 112.425 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HG ' HG21 ' A' ' 55' ' ' ILE . 96.5 mt -69.71 -36.22 75.72 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.004 0.82 . . . . 0.0 112.688 171.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.99 60.81 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.2 30.58 19.39 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.154 1.359 . . . . 0.0 114.791 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -132.4 173.76 10.96 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.405 1.882 . . . . 0.0 112.644 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.3 p -81.65 145.34 54.3 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.291 1.036 . . . . 0.0 112.872 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.62 163.51 38.28 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.888 2.392 . . . . 0.0 112.087 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.05 153.79 48.12 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.914 1.286 . . . . 0.0 113.07 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.18 163.1 38.6 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.289 1.836 . . . . 0.0 111.423 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.44 121.84 85.89 Favored Pre-proline 0 CA--C 1.554 1.122 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.703 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -81.35 74.01 5.64 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.124 3.216 . . . . 0.0 111.438 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -76.79 150.66 81.8 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 125.935 1.694 . . . . 0.0 112.212 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.257 1.446 0 C-N-CA 123.539 2.826 . . . . 0.0 113.089 178.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.52 159.14 46.79 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.803 3.002 . . . . 0.0 113.349 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.19 -142.46 48.44 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.277 0.942 . . . . 0.0 114.328 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 m -87.19 12.14 12.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.207 1.403 . . . . 0.0 114.098 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.99 140.6 58.33 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.287 1.035 . . . . 0.0 112.672 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -87.32 -17.98 31.18 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -168.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.11 12.74 56.07 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 119.224 0.92 . . . . 0.0 114.56 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.27 30.41 7.9 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.822 1.649 . . . . 0.0 114.901 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.67 152.81 52.55 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.446 1.022 . . . . 0.0 114.193 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -138.49 157.5 72.17 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.862 1.665 . . . . 0.0 112.902 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -63.42 154.8 66.17 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 124.094 3.196 . . . . 0.0 113.666 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.6 t -78.59 140.79 38.44 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.484 0.714 . . . . 0.0 111.91 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -56.54 -28.85 61.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.66 0.784 . . . . 0.0 112.761 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.25 -27.74 60.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.638 0.775 . . . . 0.0 112.637 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.87 -41.08 27.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.015 0.926 . . . . 0.0 112.039 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.77 -53.57 48.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.223 1.009 . . . . 0.0 111.571 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.51 -34.0 76.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.218 -0.927 . . . . 0.0 113.071 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.85 75.71 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.626 0.771 . . . . 0.0 112.268 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 tp -68.19 -51.71 42.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.745 1.218 . . . . 0.0 111.101 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.4 -38.68 87.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.767 1.227 . . . . 0.0 112.0 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.4 m -60.53 -27.18 67.43 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.47 -35.83 24.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.499 0.59 . . . . 0.0 112.497 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.45 -36.72 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 119.83 1.195 . . . . 0.0 112.367 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -59.93 -28.67 67.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.798 1.239 . . . . 0.0 112.664 172.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -102.13 16.03 27.32 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.466 1.906 . . . . 0.0 113.236 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.9 t30 60.26 20.8 10.23 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.428 1.891 . . . . 0.0 114.74 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -91.62 -17.94 24.78 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.435 1.494 . . . . 0.0 113.515 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.12 138.75 49.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 109.287 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -83.58 158.22 22.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.449 1.1 . . . . 0.0 112.726 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.59 -52.77 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.549 1.14 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.16 -25.96 42.78 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.631 -0.668 . . . . 0.0 112.784 -173.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -69.09 -37.77 78.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.35 0.66 . . . . 0.0 110.82 169.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.96 -32.1 73.12 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.747 -1.22 . . . . 0.0 112.481 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.16 -38.57 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 121.3 -0.875 . . . . 0.0 110.635 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -22.77 55.63 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -89.51 -24.55 21.76 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.465 1.106 . . . . 0.0 113.2 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -65.81 -44.3 86.08 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.911 1.285 . . . . 0.0 112.525 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.2 m 48.08 73.73 0.94 Allowed Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 126.925 2.09 . . . . 0.0 114.762 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -65.88 167.83 16.77 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.872 2.381 . . . . 0.0 112.041 165.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -74.22 -24.27 59.3 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? 47.13 47.18 16.34 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.679 1.992 . . . . 0.0 113.453 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.63 165.87 46.99 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.05 -1.031 . . . . 0.0 113.148 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.71 -16.59 63.73 Favored Glycine 0 N--CA 1.48 1.608 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -153.29 20.22 0.73 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.433 1.492 . . . . 0.0 114.585 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.8 p -87.43 -10.88 50.73 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.58 -148.72 7.99 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.807 1.194 . . . . 0.0 113.585 -174.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.75 177.26 50.26 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.115 1.34 . . . . 0.0 113.467 -175.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.38 -135.89 24.32 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.395 0.522 . . . . 0.0 112.236 -172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 m -61.18 144.16 54.21 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.47 1.108 . . . . 0.0 112.543 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.2 mmt 51.53 46.78 25.98 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.249 1.42 . . . . 0.0 113.7 -175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.39 157.92 34.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.692 -0.63 . . . . 0.0 110.106 155.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.9 -36.37 67.6 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.742 -1.224 . . . . 0.0 113.255 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.7 -44.2 81.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.071 1.348 . . . . 0.0 112.783 174.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -71.13 -41.74 70.12 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.271 1.028 . . . . 0.0 110.94 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.71 -47.83 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.237 1.015 . . . . 0.0 111.362 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.21 -36.09 82.49 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.599 -0.688 . . . . 0.0 111.572 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.8 m -62.01 -44.66 96.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.688 0.677 . . . . 0.0 111.362 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 -38.14 82.23 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.466 0.707 . . . . 0.0 112.461 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -70.0 -39.27 75.99 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -73.45 -33.88 65.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.362 0.665 . . . . 0.0 112.749 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.67 -12.18 61.2 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.548 1.139 . . . . 0.0 112.808 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.39 88.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.148 1.356 . . . . 0.0 114.222 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -12.65 84.22 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.055 1.312 . . . . 0.0 114.413 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 tp -121.18 143.27 49.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.272 1.829 . . . . 0.0 110.924 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -88.18 157.79 18.71 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.301 1.04 . . . . 0.0 112.045 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -59.14 -39.84 83.64 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.453 -0.779 . . . . 0.0 112.902 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.71 95.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.579 0.751 . . . . 0.0 112.46 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 -38.92 67.19 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.409 0.684 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.12 85.38 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.113 -0.992 . . . . 0.0 111.536 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.19 -43.23 92.21 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.492 -0.755 . . . . 0.0 112.321 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.67 40.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.453 0.701 . . . . 0.0 112.106 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -36.75 84.51 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.766 1.226 . . . . 0.0 112.415 -175.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.47 -32.58 71.58 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.104 0.866 . . . . 0.0 113.201 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.81 -3.01 42.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.45 19.8 77.67 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.757 1.17 . . . . 0.0 115.028 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -110.11 161.33 15.66 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.451 2.3 . . . . 0.0 111.276 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.7 p -77.6 150.91 79.76 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.746 0.818 . . . . 0.0 111.982 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -57.1 155.86 27.03 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.875 3.05 . . . . 0.0 114.648 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.39 40.89 0.37 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.874 1.67 . . . . 0.0 114.014 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.66 147.85 50.07 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 120.937 -1.102 . . . . 0.0 112.361 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.24 150.74 30.1 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.852 1.261 . . . . 0.0 111.342 171.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.83 69.07 6.27 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 124.385 3.39 . . . . 0.0 110.362 171.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -143.88 145.77 31.86 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 127.077 2.151 . . . . 0.0 111.021 -169.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo . . . . . 0 C--O 1.25 1.107 0 C-N-CA 123.592 2.861 . . . . 0.0 113.812 164.384 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.98 -19.71 17.63 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.33 2.687 . . . . 0.0 113.894 -175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.53 24.73 2.76 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.107 1.813 . . . . 0.0 113.962 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.8 p -145.67 153.44 41.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.915 1.686 . . . . 0.0 112.418 -174.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -84.59 144.62 28.51 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.91 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -155.6 158.67 38.76 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.691 1.597 . . . . 0.0 111.58 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.88 158.11 51.95 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 124.646 1.117 . . . . 0.0 113.416 176.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.42 152.93 25.94 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.488 1.115 . . . . 0.0 113.178 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.94 176.55 54.65 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.808 1.194 . . . . 0.0 113.975 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.61 145.88 82.67 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.701 0.8 . . . . 0.0 111.897 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.01 148.69 57.53 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.754 2.303 . . . . 0.0 111.439 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 t -77.67 150.19 34.57 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.781 -0.574 . . . . 0.0 111.116 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -56.24 -26.1 50.11 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 166.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.99 -30.49 44.39 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.157 0.983 . . . . 0.0 113.388 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -68.73 -38.74 80.39 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.588 0.709 . . . . 0.0 111.488 171.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.74 -49.45 65.94 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 124.299 1.039 . . . . 0.0 111.044 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -55.36 -40.78 71.71 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.663 0.665 . . . . 0.0 112.528 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.96 83.34 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.705 0.802 . . . . 0.0 112.433 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.85 -48.88 72.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.03 -41.57 95.14 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.309 1.443 . . . . 0.0 111.937 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -60.13 -27.06 66.75 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.34 -0.85 . . . . 0.0 112.941 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.14 -31.83 34.0 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.07 -33.63 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.688 -1.257 . . . . 0.0 112.344 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -62.85 -26.38 68.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.878 1.271 . . . . 0.0 112.625 170.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -98.23 11.4 38.0 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.426 1.89 . . . . 0.0 112.679 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 61.34 21.03 11.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.903 2.081 . . . . 0.0 115.214 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -99.64 -10.72 21.65 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.64 1.576 . . . . 0.0 114.365 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -126.68 137.47 53.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.971 1.708 . . . . 0.0 108.686 173.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -84.64 157.69 21.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.171 0.988 . . . . 0.0 112.601 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -54.44 -53.76 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.727 1.211 . . . . 0.0 110.848 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.57 -32.15 73.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.591 0.757 . . . . 0.0 111.762 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -72.33 -41.75 66.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.778 0.831 . . . . 0.0 111.297 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -66.33 -29.38 69.56 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.379 -1.45 . . . . 0.0 112.412 176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.2 t -71.45 -47.72 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.676 -0.64 . . . . 0.0 109.987 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -25.92 63.92 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.815 1.189 . . . . 0.0 113.858 -173.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.03 -19.25 44.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.56 1.144 . . . . 0.0 113.114 173.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 tp -80.28 -54.56 5.62 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.211 1.004 . . . . 0.0 110.873 168.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 79.7 m -143.93 118.7 6.08 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 126.778 2.031 . . . . 0.0 109.079 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -65.39 123.95 12.2 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 122.914 2.409 . . . . 0.0 113.462 -168.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -134.32 -28.79 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.161 1.784 . . . . 0.0 113.971 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 58.21 -53.7 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 128.96 2.904 . . . . 0.0 116.195 -171.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.37 6.3 77.15 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.914 1.721 . . . . 0.0 115.316 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.85 -138.74 42.31 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.721 1.26 . . . . 0.0 113.749 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.42 156.16 6.58 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.627 1.108 . . . . 0.0 114.084 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -95.8 -28.44 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.39 2.94 51.74 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.971 1.272 . . . . 0.0 116.11 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 171.64 34.91 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-N 118.552 1.176 . . . . 0.0 114.366 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.69 -2.54 89.87 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 125.059 1.314 . . . . 0.0 115.609 -177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -81.26 175.57 10.49 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.725 1.21 . . . . 0.0 112.61 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.34 107.42 0.77 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.021 0.915 . . . . 0.0 110.544 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -130.54 153.31 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.318 1.847 . . . . 0.0 110.616 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.12 -37.88 55.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.126 0.97 . . . . 0.0 113.422 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.5 -51.13 70.69 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.199 0.909 . . . . 0.0 111.997 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.27 -40.04 81.99 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.97 -0.456 . . . . 0.0 111.37 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.0 mt -60.51 -48.43 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.325 1.05 . . . . 0.0 110.882 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.55 -37.9 88.05 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.619 -0.676 . . . . 0.0 112.139 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.3 m -62.8 -43.21 99.39 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.125 0.875 . . . . 0.0 110.986 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -66.2 -41.09 90.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.177 0.991 . . . . 0.0 112.257 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.77 -37.73 73.39 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -73.35 -33.84 65.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.709 0.686 . . . . 0.0 112.336 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -73.05 -12.36 60.89 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.48 1.112 . . . . 0.0 113.258 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.32 9.9 83.04 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.6 1.095 . . . . 0.0 114.867 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.47 -6.12 88.0 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.291 1.424 . . . . 0.0 114.245 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 tp -131.95 145.07 51.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.35 1.86 . . . . 0.0 110.573 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.34 156.8 20.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.148 0.979 . . . . 0.0 111.732 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 ttp-105 -66.23 -35.43 80.4 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.251 -0.906 . . . . 0.0 112.705 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.81 95.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 112.39 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.83 -37.78 73.2 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.581 0.752 . . . . 0.0 111.791 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.06 91.93 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.509 -0.744 . . . . 0.0 111.721 174.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.86 -44.98 93.84 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.141 -0.974 . . . . 0.0 111.553 174.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.33 48.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.687 0.795 . . . . 0.0 111.7 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.32 -35.53 77.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.64 1.176 . . . . 0.0 112.239 -175.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.93 -33.66 72.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.298 0.954 . . . . 0.0 112.749 172.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.02 7.56 7.1 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.615 1.166 . . . . 0.0 114.103 170.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.22 23.03 74.79 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.824 1.202 . . . . 0.0 115.235 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -124.35 157.88 33.97 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.764 2.026 . . . . 0.0 111.19 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.5 p -82.58 145.05 50.2 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 123.697 0.799 . . . . 0.0 112.453 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -63.11 167.11 13.02 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.666 2.911 . . . . 0.0 113.356 169.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.31 7.08 6.97 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.32 162.95 0.06 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.919 2.888 . . . . 0.0 116.358 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.04 86.85 6.92 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.894 1.677 . . . . 0.0 109.855 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -74.39 6.62 3.02 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.394 2.73 . . . . 0.0 116.76 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -151.28 157.88 34.8 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 126.863 2.065 . . . . 0.0 112.368 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--O 1.253 1.267 0 C-N-CA 123.47 2.78 . . . . 0.0 112.415 168.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 118.714 -1.048 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -76.15 -26.5 9.42 Favored 'Cis proline' 0 CA--C 1.542 0.916 0 CA-C-N 119.306 1.553 . . . . 0.0 113.282 -1.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.12 164.35 51.3 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.797 1.189 . . . . 0.0 113.264 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.7 p -78.98 -14.87 58.95 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.784 1.234 . . . . 0.0 114.251 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -138.81 140.19 38.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.806 1.642 . . . . 0.0 111.307 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 p -134.69 10.49 3.68 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.132 1.373 . . . . 0.0 113.522 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.94 11.06 84.94 Favored Glycine 0 CA--C 1.537 1.434 0 O-C-N 121.212 -0.93 . . . . 0.0 113.956 -171.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.45 11.6 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.525 1.93 . . . . 0.0 112.419 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.08 178.01 44.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.174 1.369 . . . . 0.0 114.38 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -139.27 152.44 69.47 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 125.716 1.606 . . . . 0.0 112.616 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.65 149.82 74.04 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.486 2.791 . . . . 0.0 112.347 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -73.1 145.28 46.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.553 0.741 . . . . 0.0 112.185 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -57.28 -27.14 61.86 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.374 0.67 . . . . 0.0 112.59 169.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -32.45 62.73 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -75.41 -37.29 60.56 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.895 0.878 . . . . 0.0 111.873 174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.18 -49.21 65.47 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.269 1.028 . . . . 0.0 111.499 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.91 -37.42 79.4 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.77 0.828 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.13 94.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.611 0.765 . . . . 0.0 112.371 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.91 -50.09 45.67 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.327 1.051 . . . . 0.0 110.991 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.661 1.184 . . . . 0.0 111.797 -173.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.9 m -60.36 -29.14 68.72 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.475 -0.766 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 -33.08 44.26 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.45 -35.47 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 120.827 -1.171 . . . . 0.0 111.686 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.81 -31.4 72.56 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.33 1.052 . . . . 0.0 112.946 171.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -86.58 6.15 32.2 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.546 1.538 . . . . 0.0 113.548 174.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.38 37.97 29.3 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.918 1.687 . . . . 0.0 113.302 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -102.95 -17.05 15.65 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.12 1.768 . . . . 0.0 113.302 170.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -127.1 141.11 51.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.947 1.699 . . . . 0.0 109.404 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -90.25 159.19 16.82 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.637 1.175 . . . . 0.0 113.755 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.4 mm -55.83 -53.33 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.131 1.373 . . . . 0.0 110.858 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.86 -30.81 67.3 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.516 -0.74 . . . . 0.0 112.144 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.03 -46.37 81.6 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.2 1.0 . . . . 0.0 111.103 171.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.45 -30.72 71.55 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.705 -1.247 . . . . 0.0 112.618 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.4 t -73.63 -42.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 t -71.33 -27.75 63.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.234 0.924 . . . . 0.0 113.405 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -82.2 -23.69 35.31 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.417 1.087 . . . . 0.0 113.372 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.45 -54.59 8.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.43 1.092 . . . . 0.0 112.089 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -76.21 123.91 88.09 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 123.184 0.594 . . . . 0.0 112.01 -165.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.15 151.17 66.72 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.011 2.474 . . . . 0.0 111.757 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -85.38 149.5 25.39 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.819 0.848 . . . . 0.0 112.119 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 59.43 162.35 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 127.391 2.276 . . . . 0.0 114.416 -165.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.62 -178.18 36.04 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.761 1.172 . . . . 0.0 114.148 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 171.48 169.01 33.88 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.214 0.912 . . . . 0.0 114.266 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.87 169.74 33.46 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.771 1.177 . . . . 0.0 112.964 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.8 p -80.43 152.14 28.96 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.803 1.241 . . . . 0.0 112.828 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.42 167.23 53.02 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.332 0.968 . . . . 0.0 114.177 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.92 -7.37 75.62 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.491 1.044 . . . . 0.0 114.939 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.66 -172.45 42.17 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.553 2.025 . . . . 0.0 112.568 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.7 m -79.58 62.58 3.92 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.216 1.407 . . . . 0.0 112.739 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -134.6 131.14 37.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.306 1.443 . . . . 0.0 110.737 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -124.79 148.44 48.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.428 1.491 . . . . 0.0 111.59 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.26 69.58 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.03 -51.89 67.7 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.1 0.864 . . . . 0.0 110.964 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.44 -41.42 98.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.799 0.84 . . . . 0.0 112.048 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.46 -49.5 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.188 0.995 . . . . 0.0 110.433 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.4 -38.2 89.25 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.401 0.546 . . . . 0.0 111.79 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.1 m -61.03 -47.3 87.03 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.056 0.844 . . . . 0.0 110.934 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.7 -45.36 94.32 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.501 0.591 . . . . 0.0 111.602 173.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -66.33 -35.26 79.9 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.587 0.755 . . . . 0.0 112.926 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.0 -36.31 61.97 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.692 -0.63 . . . . 0.0 112.688 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -72.97 -13.51 61.26 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.898 1.279 . . . . 0.0 113.636 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.48 8.55 77.25 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.537 1.065 . . . . 0.0 114.719 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.63 3.91 80.87 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.136 1.827 . . . . 0.0 114.863 174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 tp -143.6 153.02 42.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.375 1.87 . . . . 0.0 110.145 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -100.06 157.16 16.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.041 1.336 . . . . 0.0 111.795 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ttp-105 -66.18 -32.4 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.142 -0.974 . . . . 0.0 113.243 -171.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.31 98.35 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.847 0.859 . . . . 0.0 112.425 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.71 70.63 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.132 0.573 . . . . 0.0 111.363 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.39 89.74 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.834 0.743 . . . . 0.0 111.339 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -59.82 -45.9 90.94 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.465 -0.772 . . . . 0.0 112.639 174.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.59 69.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.819 0.847 . . . . 0.0 112.387 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.85 -37.08 78.89 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.811 1.244 . . . . 0.0 111.927 -175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.35 -32.79 68.93 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.11 -0.84 17.86 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.2 19.39 62.73 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.893 1.235 . . . . 0.0 115.362 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -126.52 -177.87 4.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.545 1.538 . . . . 0.0 112.526 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.0 p -113.94 148.83 40.8 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 125.171 1.389 . . . . 0.0 112.004 172.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -73.86 165.75 31.4 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.331 2.688 . . . . 0.0 111.944 172.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.39 12.26 14.68 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.858 1.263 . . . . 0.0 114.095 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.55 163.04 26.64 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.363 1.465 . . . . 0.0 113.318 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 45.67 65.77 6.16 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 127.011 2.124 . . . . 0.0 115.102 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.04 67.98 6.66 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 124.461 3.44 . . . . 0.0 112.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 47.58 57.02 17.9 Favored Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 127.03 2.132 . . . . 0.0 114.213 -175.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--O 1.252 1.191 0 C-N-CA 123.842 3.028 . . . . 0.0 113.364 178.518 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.12 158.69 33.45 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.411 3.407 . . . . 0.0 114.033 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.88 172.93 44.97 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.4 1.476 . . . . 0.0 113.458 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.2 t -150.89 149.47 29.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.868 1.267 . . . . 0.0 112.397 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.1 t80 51.21 -145.99 0.48 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.743 2.017 . . . . 0.0 113.405 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -79.71 -3.22 46.46 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.39 -134.73 23.03 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.358 0.98 . . . . 0.0 113.606 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.92 35.09 25.88 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.977 1.711 . . . . 0.0 114.82 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.58 -12.13 82.6 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.152 1.358 . . . . 0.0 115.58 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -138.45 152.45 71.21 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 126.007 1.723 . . . . 0.0 111.266 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.17 153.71 76.58 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.316 2.677 . . . . 0.0 112.036 171.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 m -71.97 129.42 38.52 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.554 0.742 . . . . 0.0 111.432 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -59.86 -30.03 68.7 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.56 -30.23 52.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.593 1.157 . . . . 0.0 113.232 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.78 -35.47 64.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.801 0.84 . . . . 0.0 111.615 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.17 -52.43 62.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.973 0.909 . . . . 0.0 110.532 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.51 -39.12 72.79 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.484 -0.76 . . . . 0.0 112.824 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.95 -41.53 77.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.636 0.774 . . . . 0.0 112.477 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.09 -48.1 72.07 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.172 0.989 . . . . 0.0 111.079 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.06 -36.72 84.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.992 0.917 . . . . 0.0 111.864 -173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -59.52 -33.73 71.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.83 58.93 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.498 0.59 . . . . 0.0 112.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.9 -33.1 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.251 -0.905 . . . . 0.0 111.726 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -63.96 -26.59 68.65 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.244 1.018 . . . . 0.0 112.627 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.49 14.01 31.35 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.277 1.831 . . . . 0.0 112.249 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 61.78 18.89 10.11 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.379 1.872 . . . . 0.0 115.251 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -99.16 -10.79 22.04 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.134 1.374 . . . . 0.0 114.327 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -129.73 135.66 48.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.894 1.678 . . . . 0.0 108.776 177.106 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 m -84.49 160.38 20.55 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mm -55.83 -52.7 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.294 1.038 . . . . 0.0 110.891 175.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.51 -32.71 72.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.428 -0.795 . . . . 0.0 112.442 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -66.73 -45.46 78.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.061 0.944 . . . . 0.0 110.525 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.63 -27.54 68.46 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 112.901 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.1 t -75.43 -40.12 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 118.773 0.715 . . . . 0.0 110.768 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -30.59 62.57 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.454 1.025 . . . . 0.0 113.31 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -80.37 -18.97 47.45 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -69.28 -36.85 77.49 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.712 1.205 . . . . 0.0 113.463 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.1 m 56.26 80.83 0.27 Allowed Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.934 1.294 . . . . 0.0 110.612 -156.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -64.78 163.52 27.6 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.152 3.235 . . . . 0.0 115.112 -168.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.4 mtm105 -59.51 142.73 51.91 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.478 1.111 . . . . 0.0 110.868 166.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -123.22 132.67 54.13 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.391 1.476 . . . . 0.0 111.893 -175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.41 -42.89 2.1 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.071 1.32 . . . . 0.0 113.287 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.63 -144.51 9.0 Favored Glycine 0 N--CA 1.474 1.2 0 CA-C-N 117.859 0.829 . . . . 0.0 113.68 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.98 -18.68 62.57 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.525 1.06 . . . . 0.0 115.192 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -86.58 4.25 40.94 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.07 1.348 . . . . 0.0 113.659 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.64 -135.23 12.75 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.723 1.154 . . . . 0.0 112.715 -175.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.05 164.67 51.72 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.476 1.036 . . . . 0.0 114.779 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.15 -154.98 10.18 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.641 1.115 . . . . 0.0 113.181 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.6 m -60.54 148.0 39.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.096 0.958 . . . . 0.0 112.264 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.9 mtt 48.33 75.81 0.13 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.173 1.789 . . . . 0.0 111.715 -172.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.4 149.58 45.84 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.091 -1.005 . . . . 0.0 111.46 177.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.92 -33.05 61.77 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.868 0.867 . . . . 0.0 113.0 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -56.54 -48.48 77.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.086 1.354 . . . . 0.0 112.471 173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -70.46 -40.96 73.37 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.279 0.631 . . . . 0.0 111.377 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.77 -47.31 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.005 0.922 . . . . 0.0 111.809 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.58 -38.62 91.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.351 0.523 . . . . 0.0 112.187 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -61.97 -46.2 90.31 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.55 0.614 . . . . 0.0 111.136 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -65.21 -42.41 93.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.138 0.975 . . . . 0.0 112.428 176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -63.78 -43.37 96.57 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -72.14 -37.29 69.44 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.404 0.547 . . . . 0.0 112.386 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.19 -15.94 63.51 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.426 1.09 . . . . 0.0 113.386 173.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.19 73.55 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.047 1.308 . . . . 0.0 114.337 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.23 -7.04 88.91 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.925 1.25 . . . . 0.0 114.652 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.84 141.7 46.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.769 2.028 . . . . 0.0 110.757 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.45 159.64 17.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.176 0.99 . . . . 0.0 112.427 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -56.19 -43.1 78.14 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.247 1.019 . . . . 0.0 112.921 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.83 98.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.572 0.749 . . . . 0.0 112.17 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.0 -36.77 69.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.429 0.692 . . . . 0.0 112.161 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -46.69 88.97 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.223 -0.923 . . . . 0.0 111.599 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -61.16 -44.77 96.79 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.722 0.692 . . . . 0.0 111.789 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.7 64.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.566 0.746 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.26 -35.69 73.95 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.67 1.188 . . . . 0.0 112.198 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.0 -35.27 80.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.07 -1.019 . . . . 0.0 112.511 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.65 -10.36 59.37 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.18 12.37 76.5 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.176 1.369 . . . . 0.0 115.339 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -85.97 171.92 11.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.929 2.092 . . . . 0.0 111.456 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 p -85.72 156.42 58.58 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 124.446 1.098 . . . . 0.0 111.757 166.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.49 145.07 70.81 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.636 2.891 . . . . 0.0 113.599 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.78 24.13 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.285 1.434 . . . . 0.0 112.189 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.23 152.35 47.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.851 1.66 . . . . 0.0 111.417 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.37 129.06 70.7 Favored Pre-proline 0 CA--C 1.553 1.059 0 CA-C-O 118.658 -0.687 . . . . 0.0 111.264 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.83 64.02 8.81 Favored 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 124.77 3.646 . . . . 0.0 111.258 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -68.45 149.18 98.11 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 C--O 1.254 1.308 0 C-N-CA 124.167 3.244 . . . . 0.0 112.957 177.385 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.55 147.13 96.15 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.856 3.037 . . . . 0.0 113.666 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.32 139.2 23.68 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.108 0.861 . . . . 0.0 113.523 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -155.76 154.86 32.09 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.53 1.532 . . . . 0.0 111.568 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -76.78 149.52 36.26 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.015 0.926 . . . . 0.0 112.782 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 t -146.92 149.99 34.32 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.164 1.385 . . . . 0.0 110.862 168.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.35 154.86 52.07 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.151 0.881 . . . . 0.0 114.423 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.68 3.0 11.72 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.817 1.647 . . . . 0.0 114.475 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.53 -149.81 44.11 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.719 1.152 . . . . 0.0 114.285 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -135.38 158.42 74.55 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.242 1.817 . . . . 0.0 111.807 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -73.36 81.05 1.82 Allowed 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.92 3.08 . . . . 0.0 111.655 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 t -63.99 142.2 58.49 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.758 1.223 . . . . 0.0 112.343 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -58.71 -25.78 63.24 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 172.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 -35.33 58.26 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.41 0.684 . . . . 0.0 112.29 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.94 -35.18 64.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.13 0.972 . . . . 0.0 111.896 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 mt -69.04 -43.0 75.57 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.556 1.142 . . . . 0.0 111.553 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.25 -40.56 86.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.528 1.058 . . . . 0.0 112.322 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.13 92.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.305 0.642 . . . . 0.0 112.363 177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.8 tp -70.14 -49.8 47.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.932 0.893 . . . . 0.0 111.327 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 mt -66.6 -42.79 86.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.403 1.481 . . . . 0.0 112.217 -173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -32.54 72.82 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.064 -1.023 . . . . 0.0 112.31 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.39 70.09 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.54 -0.725 . . . . 0.0 111.975 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 p -79.0 -32.12 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.927 -1.108 . . . . 0.0 112.508 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -69.72 -25.91 64.08 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.82 8.12 38.71 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.552 1.541 . . . . 0.0 114.027 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.9 t30 58.8 27.04 15.51 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.587 1.955 . . . . 0.0 114.603 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -83.63 -23.54 31.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.591 1.156 . . . . 0.0 112.358 168.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.87 143.01 51.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.857 2.063 . . . . 0.0 108.572 -175.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -91.26 159.34 16.09 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.859 -1.15 . . . . 0.0 113.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.3 mm -55.24 -53.12 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 125.303 1.441 . . . . 0.0 110.429 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -66.62 -32.41 73.71 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.638 -0.664 . . . . 0.0 111.804 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.69 -46.02 70.12 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.348 1.059 . . . . 0.0 111.213 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.78 68.04 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.187 -0.946 . . . . 0.0 113.068 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -76.49 -41.82 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.427 1.091 . . . . 0.0 111.216 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.15 -30.37 62.24 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.409 1.004 . . . . 0.0 113.087 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.55 -19.4 57.95 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.644 0.777 . . . . 0.0 112.831 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tp -78.56 -42.41 29.35 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.144 0.977 . . . . 0.0 111.677 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.7 m -89.15 114.98 62.42 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 124.34 1.056 . . . . 0.0 113.034 -165.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.15 149.92 52.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.109 2.54 . . . . 0.0 112.344 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -86.6 -28.12 23.46 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.205 1.002 . . . . 0.0 113.031 -175.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -93.01 141.18 28.69 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.813 1.645 . . . . 0.0 111.994 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.92 7.22 75.28 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.19 86.45 0.25 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.9 1.238 . . . . 0.0 113.044 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -11.67 83.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -74.17 154.0 39.27 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.536 1.168 . . . . 0.0 112.597 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.27 -177.59 16.55 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 128.91 3.148 . . . . 0.0 113.082 3.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.4 -174.3 53.71 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.67 1.128 . . . . 0.0 114.619 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.57 -162.33 52.22 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.386 0.993 . . . . 0.0 113.635 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.1 m -65.79 140.5 58.42 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.945 0.898 . . . . 0.0 111.739 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.3 mpp? 52.69 54.99 9.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.522 1.529 . . . . 0.0 112.809 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.47 153.79 40.2 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.25 -0.906 . . . . 0.0 110.963 165.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.27 -39.29 63.78 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.31 -50.15 74.15 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.014 0.825 . . . . 0.0 110.914 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.29 -41.4 98.46 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.194 0.997 . . . . 0.0 111.857 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.44 -50.01 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.053 0.941 . . . . 0.0 110.955 175.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.8 -38.44 90.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.656 0.662 . . . . 0.0 112.105 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.0 -47.82 83.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.499 0.72 . . . . 0.0 110.882 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -68.67 -38.5 80.43 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.861 -0.524 . . . . 0.0 112.399 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.12 -46.23 88.28 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.864 0.866 . . . . 0.0 112.131 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -70.37 -33.26 71.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.083 0.553 . . . . 0.0 112.476 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -75.68 -12.27 60.16 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.373 1.069 . . . . 0.0 113.541 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.63 10.23 84.6 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.817 1.199 . . . . 0.0 115.295 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.87 -9.33 86.99 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.979 1.276 . . . . 0.0 114.04 171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 tp -136.93 141.45 42.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.647 1.979 . . . . 0.0 110.432 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -84.48 161.26 20.34 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.026 0.93 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -64.68 -36.95 85.94 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.022 -1.049 . . . . 0.0 111.785 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.86 65.99 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.148 0.979 . . . . 0.0 113.422 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.97 -41.74 15.58 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.093 0.957 . . . . 0.0 111.446 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.8 84.02 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.468 -0.77 . . . . 0.0 111.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.01 -41.73 88.44 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.829 0.851 . . . . 0.0 112.131 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.54 71.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.335 0.654 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.83 -33.44 66.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.945 0.898 . . . . 0.0 112.402 -173.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.08 -35.23 79.37 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.055 0.942 . . . . 0.0 112.337 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 0.32 44.13 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.43 23.1 65.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 124.631 1.11 . . . . 0.0 115.413 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -124.79 164.32 20.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.688 1.995 . . . . 0.0 112.29 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.9 p -72.89 148.0 89.14 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 123.371 0.669 . . . . 0.0 112.787 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -52.3 137.35 55.79 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.91 3.073 . . . . 0.0 114.701 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.56 26.23 5.5 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.026 1.731 . . . . 0.0 115.309 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -137.81 163.12 32.18 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.958 1.703 . . . . 0.0 112.319 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.55 143.04 28.12 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.867 1.267 . . . . 0.0 112.344 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -86.76 14.21 2.5 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.015 3.144 . . . . 0.0 115.32 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -129.48 148.74 70.52 Favored Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 126.505 1.922 . . . . 0.0 112.101 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.254 1.324 0 C-N-CA 123.914 3.076 . . . . 0.0 113.222 178.159 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 CA-C-O 119.198 -0.779 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.62 157.7 35.89 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.18 3.253 . . . . 0.0 114.649 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.62 175.63 43.87 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.787 1.185 . . . . 0.0 114.832 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 m 55.39 29.27 12.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.785 1.634 . . . . 0.0 115.372 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -139.89 165.43 27.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.798 1.639 . . . . 0.0 113.338 -171.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p 57.48 11.66 1.27 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 128.68 2.792 . . . . 0.0 116.798 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.66 12.92 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.888 1.233 . . . . 0.0 114.153 -172.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.908 1.354 . . . . 0.0 110.836 168.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.15 168.09 21.93 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.893 1.235 . . . . 0.0 113.352 167.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -145.06 156.37 54.87 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.766 2.027 . . . . 0.0 111.686 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.56 158.32 57.62 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.506 2.804 . . . . 0.0 113.188 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -68.16 128.67 37.38 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.556 1.143 . . . . 0.0 113.212 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -65.67 -27.38 68.32 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.49 -33.26 66.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.752 0.821 . . . . 0.0 112.769 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -70.2 -36.91 74.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.021 0.928 . . . . 0.0 111.765 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.25 -49.08 65.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.383 1.073 . . . . 0.0 111.387 171.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.05 -37.99 78.32 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.413 -0.804 . . . . 0.0 112.716 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -43.12 78.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.773 0.829 . . . . 0.0 112.38 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.22 -45.62 83.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.656 1.183 . . . . 0.0 111.053 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.9 -44.42 85.31 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.799 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 m -60.44 -33.67 72.87 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.775 -1.203 . . . . 0.0 112.576 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -34.98 71.95 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.598 0.635 . . . . 0.0 112.498 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.8 -31.84 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 120.7 -1.25 . . . . 0.0 112.954 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -65.38 -30.16 70.95 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.469 1.108 . . . . 0.0 112.552 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -93.92 10.27 34.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.869 1.667 . . . . 0.0 113.068 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.339 0.8 OUTLIER 50.45 31.44 5.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.075 2.55 . . . . 0.0 115.546 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -76.88 -32.43 57.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.469 1.508 . . . . 0.0 111.9 165.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -117.28 140.3 49.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.097 1.759 . . . . 0.0 108.978 -174.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.3 m -85.77 156.88 20.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.922 0.889 . . . . 0.0 113.262 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -53.99 -50.65 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.524 1.53 . . . . 0.0 111.516 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -78.06 -25.66 47.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -67.21 -43.11 82.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.267 0.627 . . . . 0.0 110.638 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -63.07 -30.28 71.47 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.184 -0.948 . . . . 0.0 112.519 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.48 -41.26 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.289 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -23.77 62.54 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.52 -27.81 23.77 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.817 1.247 . . . . 0.0 113.078 172.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tp -68.83 -47.27 66.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.763 0.825 . . . . 0.0 110.808 170.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -68.82 140.74 91.79 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 125.194 1.398 . . . . 0.0 110.561 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.56 151.11 77.88 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.521 2.148 . . . . 0.0 111.536 171.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.85 -9.78 53.29 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -168.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -98.79 -5.36 31.35 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.431 1.892 . . . . 0.0 113.931 172.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.4 169.28 54.32 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.31 1.433 . . . . 0.0 115.225 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.46 -1.84 85.52 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.329 1.442 . . . . 0.0 116.246 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.31 -145.67 33.52 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 118.95 1.375 . . . . 0.0 113.26 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 m -55.19 131.23 44.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.693 1.597 . . . . 0.0 113.664 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.87 161.28 23.58 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.274 1.416 . . . . 0.0 114.075 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.98 -8.24 84.35 Favored Glycine 0 CA--C 1.543 1.782 0 C-N-CA 124.847 1.213 . . . . 0.0 115.739 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.3 177.2 51.13 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.67 1.129 . . . . 0.0 114.812 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 p -70.13 151.37 45.52 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.149 0.98 . . . . 0.0 112.919 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . 0.297 26.1 ptt? 43.58 47.66 6.3 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.121 1.768 . . . . 0.0 114.429 -174.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.78 152.33 45.73 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.517 -0.739 . . . . 0.0 111.917 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.58 -36.28 64.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.816 0.847 . . . . 0.0 113.017 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -69.06 -39.72 78.96 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.932 1.242 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -64.97 -41.28 95.59 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.579 0.752 . . . . 0.0 110.808 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.01 -48.24 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 124.294 1.038 . . . . 0.0 110.695 174.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.59 -44.93 96.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.005 0.82 . . . . 0.0 111.808 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.6 m -56.55 -48.37 77.43 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.695 0.679 . . . . 0.0 111.668 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -68.12 -33.78 75.14 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.97 -41.81 77.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.708 0.803 . . . . 0.0 112.307 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -71.77 -33.4 68.6 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.737 -0.602 . . . . 0.0 112.456 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -72.75 -14.75 61.61 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.559 1.144 . . . . 0.0 113.273 172.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.88 8.18 87.75 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.103 1.335 . . . . 0.0 114.817 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.6 -14.43 82.11 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.846 1.213 . . . . 0.0 114.416 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tt -131.91 135.96 47.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.617 1.967 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -87.3 158.5 19.05 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 0.0 113.212 -172.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -57.0 -40.0 75.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.991 -1.068 . . . . 0.0 112.927 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.74 92.06 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.382 0.673 . . . . 0.0 112.15 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.15 73.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.924 0.889 . . . . 0.0 111.518 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -49.37 77.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.004 0.82 . . . . 0.0 111.099 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.37 -38.39 86.82 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.374 -0.829 . . . . 0.0 112.558 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.1 -59.17 5.14 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 118.842 0.746 . . . . 0.0 111.293 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.48 -36.73 81.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.481 1.113 . . . . 0.0 112.905 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.13 -33.27 73.19 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.755 0.822 . . . . 0.0 112.56 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.46 -2.33 45.41 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.78 18.73 76.77 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.331 0.967 . . . . 0.0 114.815 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -102.93 157.28 17.08 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.787 2.035 . . . . 0.0 112.019 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.4 p -85.12 146.77 46.08 Favored Pre-proline 0 N--CA 1.471 0.625 0 C-N-CA 124.148 0.979 . . . . 0.0 111.851 167.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -76.06 166.9 27.07 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.22 2.613 . . . . 0.0 112.105 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -136.53 159.79 40.74 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.226 1.41 . . . . 0.0 112.221 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.12 165.19 27.79 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.529 1.531 . . . . 0.0 112.137 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 47.13 62.84 11.15 Favored Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 126.08 1.752 . . . . 0.0 114.186 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.05 15.95 1.43 Allowed 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 124.25 3.3 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -145.39 152.18 49.31 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.67 1.988 . . . . 0.0 112.399 -172.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 C--O 1.253 1.264 0 C-N-CA 123.899 3.066 . . . . 0.0 112.862 177.351 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 CA-C-O 119.701 -0.5 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.94 160.38 49.56 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.809 3.006 . . . . 0.0 113.18 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.23 -74.76 0.19 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.049 1.309 . . . . 0.0 111.305 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -75.56 -18.38 59.78 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.209 1.004 . . . . 0.0 112.915 171.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -138.2 163.87 30.63 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.345 1.858 . . . . 0.0 110.419 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -76.91 161.9 28.03 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.977 1.311 . . . . 0.0 113.43 -175.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.49 -172.55 42.99 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.207 1.384 . . . . 0.0 112.89 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 153.85 42.54 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.71 179.7 48.19 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.004 1.288 . . . . 0.0 113.493 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.79 149.06 73.67 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.19 162.58 41.25 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 123.342 2.694 . . . . 0.0 111.823 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 t -73.77 154.17 39.68 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.361 -0.837 . . . . 0.0 111.736 167.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.3 -26.49 52.28 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.526 -0.734 . . . . 0.0 112.453 165.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -32.64 63.8 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.94 0.896 . . . . 0.0 113.046 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -71.92 -39.86 69.2 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.613 0.765 . . . . 0.0 111.571 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.6 mt -65.64 -50.7 64.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.102 0.961 . . . . 0.0 111.004 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -59.79 -38.5 82.08 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.913 0.779 . . . . 0.0 112.693 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.17 95.87 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.275 0.63 . . . . 0.0 111.952 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.94 -48.54 52.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.145 0.978 . . . . 0.0 111.529 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.44 -43.91 84.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.582 1.553 . . . . 0.0 112.087 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -63.57 -29.13 70.43 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.615 -0.678 . . . . 0.0 112.276 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.19 -36.34 64.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.605 0.762 . . . . 0.0 112.156 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -78.29 -33.98 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.627 1.103 . . . . 0.0 112.749 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -68.78 -18.67 64.24 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -99.23 9.59 43.1 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.177 1.391 . . . . 0.0 112.74 173.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.05 20.71 9.86 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.193 1.797 . . . . 0.0 114.642 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -81.23 -27.27 35.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.118 0.967 . . . . 0.0 111.979 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.609 HD13 ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -125.28 159.75 30.94 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.706 2.002 . . . . 0.0 109.297 -179.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.609 ' H ' HD13 ' A' ' 28' ' ' LEU . 50.0 m -116.84 158.29 24.19 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.827 1.651 . . . . 0.0 112.083 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.9 mm -51.04 -51.86 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.311 1.444 . . . . 0.0 111.234 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.39 -30.32 61.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -75.15 -25.56 58.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.311 1.044 . . . . 0.0 112.105 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 -39.04 51.91 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.266 -0.896 . . . . 0.0 111.786 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.98 -41.4 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.953 0.901 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -67.29 -26.47 66.56 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -86.81 -32.96 20.04 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.471 1.108 . . . . 0.0 112.52 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -78.91 -34.48 44.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.426 1.091 . . . . 0.0 113.27 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.9 m -66.53 126.55 92.38 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 123.749 0.82 . . . . 0.0 111.09 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -73.29 143.18 34.84 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.252 2.635 . . . . 0.0 112.496 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.48 -19.6 35.51 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -107.7 -3.3 19.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.664 1.585 . . . . 0.0 114.026 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.65 132.78 22.72 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.864 0.745 . . . . 0.0 112.685 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.89 158.08 42.24 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.639 1.114 . . . . 0.0 113.691 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.07 114.69 3.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.05 0.834 . . . . 0.0 111.932 173.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -156.1 169.02 25.45 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.464 1.505 . . . . 0.0 112.937 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.78 174.7 47.02 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.522 1.534 . . . . 0.0 114.934 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.59 7.9 71.17 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.973 1.273 . . . . 0.0 115.871 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.75 -154.76 42.12 Favored Glycine 0 CA--C 1.539 1.537 0 CA-C-N 118.553 1.177 . . . . 0.0 113.722 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 t 61.11 169.85 0.1 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.251 1.82 . . . . 0.0 113.931 -166.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 55.8 mtt 49.65 44.99 24.68 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.291 1.836 . . . . 0.0 113.128 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -71.94 141.84 49.45 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.531 -0.731 . . . . 0.0 110.97 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.82 79.97 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 112.435 -173.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.86 -52.46 65.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.271 1.029 . . . . 0.0 110.899 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.19 -40.29 95.58 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.054 0.941 . . . . 0.0 111.856 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.73 -49.4 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 123.83 0.852 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.02 -37.93 89.14 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 119.02 -0.514 . . . . 0.0 111.662 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.6 m -62.81 -45.48 92.43 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.11 0.868 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -66.78 -43.99 82.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.742 0.701 . . . . 0.0 112.27 174.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.41 -44.9 95.28 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.272 1.029 . . . . 0.0 111.826 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -70.0 -33.42 72.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.29 -11.19 59.87 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.771 1.228 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.47 10.86 83.95 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.614 1.102 . . . . 0.0 114.302 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.83 2.53 87.35 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.221 1.867 . . . . 0.0 114.704 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 tp -147.42 138.47 23.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.824 2.049 . . . . 0.0 110.057 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -76.97 163.06 27.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.487 -0.758 . . . . 0.0 111.515 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -62.17 -41.25 98.14 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.266 -0.896 . . . . 0.0 111.958 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.56 -37.62 88.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.059 0.544 . . . . 0.0 111.88 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -40.52 63.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.312 0.645 . . . . 0.0 112.016 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.24 81.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.625 0.77 . . . . 0.0 111.481 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.02 -42.6 94.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.888 0.475 . . . . 0.0 111.572 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.99 50.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.622 0.769 . . . . 0.0 112.515 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -35.31 80.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 112.273 -177.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.4 -35.0 75.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.054 0.843 . . . . 0.0 112.574 172.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.98 -1.68 48.98 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.097 1.359 . . . . 0.0 114.222 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.09 24.74 63.3 Favored Glycine 0 CA--C 1.542 1.731 0 C-N-CA 124.901 1.238 . . . . 0.0 115.395 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -122.04 166.43 14.52 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.575 1.95 . . . . 0.0 111.831 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.2 p -79.42 150.82 74.19 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 124.108 0.963 . . . . 0.0 112.637 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -55.97 144.5 78.45 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.907 3.072 . . . . 0.0 115.031 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.91 164.01 19.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.984 1.314 . . . . 0.0 112.983 177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.31 157.34 44.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.648 1.579 . . . . 0.0 111.857 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.03 130.56 66.07 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 123.383 0.673 . . . . 0.0 111.085 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.23 40.33 0.93 Allowed 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 124.901 3.734 . . . . 0.0 113.332 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -75.69 162.54 71.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.77 1.628 . . . . 0.0 112.935 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--O 1.253 1.239 0 C-N-CA 123.582 2.855 . . . . 0.0 113.23 162.45 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 112.297 -0.321 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.0 148.3 85.83 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.095 3.197 . . . . 0.0 114.33 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.34 -157.74 33.39 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.343 1.449 . . . . 0.0 113.704 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.0 m -114.77 139.07 50.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 110.459 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 84.9 m-85 -126.91 110.75 13.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.086 0.954 . . . . 0.0 111.295 -164.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' TYR . 63.8 m -143.17 144.77 32.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 128.463 2.705 . . . . 0.0 110.719 0.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.66 167.51 43.52 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.854 1.216 . . . . 0.0 113.476 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.17 149.01 41.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 112.756 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.41 115.96 4.57 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.947 0.784 . . . . 0.0 112.069 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -140.67 143.71 33.38 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.913 1.685 . . . . 0.0 111.007 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.37 149.21 44.59 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.257 2.638 . . . . 0.0 112.718 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -72.44 153.38 41.43 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.42 0.688 . . . . 0.0 111.461 166.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -54.64 -28.45 47.03 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.29 0.636 . . . . 0.0 111.896 166.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 -31.46 44.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.352 1.061 . . . . 0.0 113.243 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.83 -40.22 87.91 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.241 0.543 . . . . 0.0 111.461 171.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 mt -65.84 -48.3 72.08 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.942 0.897 . . . . 0.0 111.226 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.94 -38.71 76.46 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.106 0.866 . . . . 0.0 112.94 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.54 75.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.913 0.885 . . . . 0.0 111.874 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.16 -34.96 75.79 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.218 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.2 mt -70.9 -41.65 70.99 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.834 1.654 . . . . 0.0 112.323 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.21 -34.28 74.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.404 1.002 . . . . 0.0 112.612 169.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.13 68.75 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.65 -0.656 . . . . 0.0 111.96 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -81.66 -32.59 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 O-C-N 120.849 -1.157 . . . . 0.0 112.036 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -66.65 -32.19 73.36 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.734 0.814 . . . . 0.0 112.386 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -88.55 9.78 22.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.815 1.246 . . . . 0.0 113.414 172.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 t30 59.7 27.1 16.29 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.656 1.982 . . . . 0.0 114.926 177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -87.36 -32.14 19.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.005 1.322 . . . . 0.0 112.353 172.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 138.64 47.92 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.408 1.483 . . . . 0.0 110.088 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -87.29 154.94 20.3 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.219 1.008 . . . . 0.0 112.625 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -54.89 -49.1 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.695 1.198 . . . . 0.0 111.193 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.59 -26.27 57.72 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.284 -0.885 . . . . 0.0 113.279 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -70.8 -39.61 73.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.662 -0.648 . . . . 0.0 110.151 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.84 69.56 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.853 -1.155 . . . . 0.0 112.727 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.13 -43.61 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.449 0.7 . . . . 0.0 111.118 171.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.39 -26.94 64.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.797 1.18 . . . . 0.0 113.053 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -81.66 -24.01 36.57 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.704 1.202 . . . . 0.0 113.261 172.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -73.64 -50.17 22.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.076 0.853 . . . . 0.0 110.75 169.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 m -143.16 122.85 7.69 Favored Pre-proline 0 N--CA 1.473 0.704 0 C-N-CA 126.243 1.817 . . . . 0.0 110.682 -169.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -64.3 92.42 0.18 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.609 2.872 . . . . 0.0 112.365 171.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -74.15 145.07 44.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.297 1.039 . . . . 0.0 113.416 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -123.17 -4.32 8.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.473 1.909 . . . . 0.0 114.049 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.89 169.26 50.91 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.036 1.303 . . . . 0.0 114.702 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.55 165.42 36.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.063 1.316 . . . . 0.0 113.198 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.6 -162.67 50.17 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 123.818 0.723 . . . . 0.0 113.694 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.6 m -69.34 135.58 50.57 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.339 1.055 . . . . 0.0 112.804 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.93 174.42 36.14 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.095 1.331 . . . . 0.0 113.424 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.46 178.76 40.89 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.844 1.211 . . . . 0.0 113.819 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.95 156.37 19.41 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.745 1.164 . . . . 0.0 113.399 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -70.94 137.13 48.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.893 0.877 . . . . 0.0 111.668 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.2 mtt 48.78 43.03 20.85 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.567 1.547 . . . . 0.0 114.025 -175.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.67 155.88 38.19 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.358 -0.838 . . . . 0.0 109.991 153.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.43 -34.23 61.02 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.007 -1.058 . . . . 0.0 113.013 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.54 -51.57 68.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.962 0.905 . . . . 0.0 110.78 174.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.15 -39.85 94.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.766 0.826 . . . . 0.0 111.613 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.7 -43.69 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.016 0.926 . . . . 0.0 111.275 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.43 -42.39 98.67 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.683 0.793 . . . . 0.0 112.199 171.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.4 m -64.76 -44.55 89.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.615 0.766 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.987 1.315 . . . . 0.0 111.885 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.73 -44.49 85.84 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.659 0.784 . . . . 0.0 112.526 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -69.98 -32.96 71.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.805 0.73 . . . . 0.0 112.586 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.34 -14.38 61.28 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.89 1.276 . . . . 0.0 113.486 173.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.26 12.69 81.89 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.017 1.294 . . . . 0.0 114.451 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.37 -5.8 89.09 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 124.707 1.146 . . . . 0.0 114.557 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.27 136.41 39.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.887 1.675 . . . . 0.0 110.687 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.71 155.72 33.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.579 0.752 . . . . 0.0 111.897 172.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -60.62 -40.05 90.44 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.299 -0.876 . . . . 0.0 112.598 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.3 88.68 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.599 0.76 . . . . 0.0 112.414 176.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.85 -38.85 66.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 111.982 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.56 84.98 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.077 -1.014 . . . . 0.0 111.642 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.8 -43.74 94.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.555 0.742 . . . . 0.0 112.279 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.15 -52.09 66.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.91 0.884 . . . . 0.0 112.29 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mp -70.93 -35.58 72.3 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.97 1.308 . . . . 0.0 112.396 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.58 -34.5 77.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.245 0.93 . . . . 0.0 112.563 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.44 -0.3 25.43 Favored 'General case' 0 CA--C 1.556 1.18 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 170.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.25 5.27 81.07 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.419 1.485 . . . . 0.0 115.561 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -88.73 154.27 20.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.933 1.693 . . . . 0.0 112.024 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.3 p -77.51 144.64 70.3 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 123.284 0.634 . . . . 0.0 110.933 159.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.74 162.28 22.23 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.384 2.723 . . . . 0.0 113.534 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.09 158.15 44.7 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.067 1.347 . . . . 0.0 112.67 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.49 163.61 27.39 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.711 1.205 . . . . 0.0 112.843 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 142.22 32.72 Favored Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 125.265 1.426 . . . . 0.0 111.45 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.13 68.01 8.41 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.551 3.5 . . . . 0.0 111.803 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -136.13 135.01 20.58 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 126.008 1.723 . . . . 0.0 110.193 -175.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.254 1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 112.991 173.583 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 CA-C-O 119.865 -0.408 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -67.04 -17.94 51.4 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 124.049 3.166 . . . . 0.0 115.975 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.75 177.8 50.26 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.775 1.179 . . . . 0.0 114.037 -175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -70.8 154.43 41.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.721 1.209 . . . . 0.0 113.836 -172.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -138.59 140.77 39.11 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.744 1.618 . . . . 0.0 110.663 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.3 p -141.39 163.39 33.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.175 1.39 . . . . 0.0 112.607 -171.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.78 176.01 45.7 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.777 1.18 . . . . 0.0 113.271 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.6 -30.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 128.892 2.877 . . . . 0.0 118.339 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.21 -167.49 51.66 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.136 1.35 . . . . 0.0 114.507 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.5 160.71 71.99 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.616 1.166 . . . . 0.0 113.233 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.43 133.04 49.61 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.974 2.449 . . . . 0.0 113.754 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.8 p -79.48 164.66 23.76 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.023 1.329 . . . . 0.0 114.204 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -57.49 -24.2 54.49 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 166.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.43 30.63 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.913 0.885 . . . . 0.0 113.108 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.99 -35.87 81.76 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.884 0.874 . . . . 0.0 112.074 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.89 -49.8 66.75 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.431 1.092 . . . . 0.0 111.358 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.7 -37.96 74.41 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.77 87.94 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.583 0.753 . . . . 0.0 112.335 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.94 -38.23 37.7 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.586 1.154 . . . . 0.0 111.93 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.81 -36.7 84.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.635 1.174 . . . . 0.0 112.238 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -60.91 -33.71 73.56 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 112.811 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 -32.98 63.87 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.663 -0.648 . . . . 0.0 112.118 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -83.08 -31.83 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.228 -0.92 . . . . 0.0 111.818 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -61.26 -32.76 72.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.456 1.102 . . . . 0.0 112.482 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -97.8 15.9 22.35 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.542 1.537 . . . . 0.0 113.156 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 54.99 26.04 7.57 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.529 2.332 . . . . 0.0 116.195 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -83.57 -25.88 30.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.934 1.294 . . . . 0.0 112.654 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -122.38 135.64 54.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.948 1.699 . . . . 0.0 109.272 -175.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 m -83.91 157.15 22.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.124 0.97 . . . . 0.0 112.961 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -55.99 -49.43 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.379 1.072 . . . . 0.0 111.105 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.24 -31.7 67.86 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.184 -0.947 . . . . 0.0 112.568 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -66.71 -44.18 82.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.037 0.935 . . . . 0.0 110.508 173.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -64.0 -27.6 69.23 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.383 -0.823 . . . . 0.0 112.724 177.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.7 t -76.43 -38.72 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.96 0.904 . . . . 0.0 111.467 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -28.76 60.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.125 -0.984 . . . . 0.0 113.438 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.89 -17.77 46.07 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.639 1.176 . . . . 0.0 113.712 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.53 -41.43 60.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.535 1.534 . . . . 0.0 113.627 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m 52.64 72.57 1.14 Allowed Pre-proline 0 N--CA 1.481 1.083 0 C-N-CA 124.859 1.264 . . . . 0.0 110.81 -161.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.27 138.66 86.02 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.589 2.859 . . . . 0.0 113.584 -172.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -97.56 -12.9 22.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.633 1.173 . . . . 0.0 114.105 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 60.95 -52.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 129.737 3.215 . . . . 0.0 115.768 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.73 -133.91 49.82 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.5 2.0 . . . . 0.0 114.841 171.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.01 -136.12 46.06 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.768 0.699 . . . . 0.0 112.135 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.56 45.64 2.43 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.765 1.174 . . . . 0.0 113.439 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m 53.4 52.21 13.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.913 1.685 . . . . 0.0 112.221 -170.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.5 -172.15 19.12 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 126.521 2.01 . . . . 0.0 113.058 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.78 -171.51 53.5 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.342 0.972 . . . . 0.0 114.616 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.21 8.98 59.79 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.899 1.238 . . . . 0.0 115.988 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 m 52.65 34.11 15.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 126.259 1.824 . . . . 0.0 114.783 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.2 mtm -90.53 116.79 28.7 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.221 1.408 . . . . 0.0 110.556 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -141.33 143.64 34.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.405 1.482 . . . . 0.0 110.183 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.44 -30.9 70.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 112.99 -172.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -62.43 -52.62 62.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.197 0.908 . . . . 0.0 110.459 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.63 -41.2 97.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.471 0.709 . . . . 0.0 111.456 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.18 -47.68 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.278 1.031 . . . . 0.0 111.191 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.62 -39.36 94.18 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.658 0.663 . . . . 0.0 111.69 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.2 m -62.45 -45.16 94.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.307 0.643 . . . . 0.0 111.101 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.47 -41.39 84.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.703 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -60.51 -44.61 95.83 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.874 0.761 . . . . 0.0 111.48 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -69.98 -37.12 75.65 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.907 -0.495 . . . . 0.0 112.127 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.88 -17.94 62.08 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.62 75.38 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.859 1.218 . . . . 0.0 114.349 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.1 1.85 83.35 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 126.157 1.837 . . . . 0.0 114.892 173.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -142.96 139.58 30.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.093 1.757 . . . . 0.0 110.653 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -74.0 154.02 39.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.575 0.75 . . . . 0.0 112.26 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -60.09 -41.31 92.23 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.362 -0.836 . . . . 0.0 112.254 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.32 99.06 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.494 1.118 . . . . 0.0 112.39 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.12 82.53 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.767 -0.583 . . . . 0.0 111.643 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.13 78.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.324 -0.86 . . . . 0.0 111.423 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.26 -39.53 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.25 -0.906 . . . . 0.0 112.579 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.26 -55.08 27.79 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.574 0.749 . . . . 0.0 112.315 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.9 -31.18 68.84 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.812 1.245 . . . . 0.0 112.883 -174.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.02 -34.41 73.26 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.113 0.87 . . . . 0.0 112.818 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.9 59.95 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 168.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.17 17.79 70.96 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.036 1.303 . . . . 0.0 114.945 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -97.48 156.42 16.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.08 1.352 . . . . 0.0 111.241 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.9 p -76.76 146.05 75.67 Favored Pre-proline 0 N--CA 1.475 0.799 0 O-C-N 121.735 -0.603 . . . . 0.0 111.491 170.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -62.77 146.19 95.04 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.794 2.329 . . . . 0.0 113.518 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.91 155.82 38.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.76 0.824 . . . . 0.0 112.309 172.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.01 156.18 43.31 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.929 1.292 . . . . 0.0 112.34 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.99 148.16 28.97 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.291 1.436 . . . . 0.0 111.071 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.38 13.79 2.45 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 124.649 3.566 . . . . 0.0 114.652 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -73.12 150.0 89.78 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.023 1.729 . . . . 0.0 112.713 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--O 1.254 1.283 0 C-N-CA 123.836 3.024 . . . . 0.0 113.11 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 CA-C-O 119.838 -0.423 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -63.66 159.95 38.69 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.698 2.932 . . . . 0.0 113.398 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 128.14 42.4 Favored Glycine 0 CA--C 1.536 1.396 0 O-C-N 121.282 -0.886 . . . . 0.0 113.006 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 m 53.42 29.73 9.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.25 139.68 58.1 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.404 1.082 . . . . 0.0 113.065 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -147.05 15.1 1.17 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.783 1.233 . . . . 0.0 113.273 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.85 139.18 34.31 Favored Glycine 0 CA--C 1.538 1.479 0 O-C-N 120.945 -1.097 . . . . 0.0 113.954 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.18 162.83 39.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.585 1.554 . . . . 0.0 111.605 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.77 170.33 43.04 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.002 0.81 . . . . 0.0 113.84 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.22 160.29 49.41 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.325 1.85 . . . . 0.0 111.475 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.86 129.31 31.5 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.409 2.739 . . . . 0.0 112.216 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t -151.38 134.28 15.76 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.097 1.359 . . . . 0.0 111.103 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.63 -29.76 69.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.31 39.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.795 0.838 . . . . 0.0 112.293 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -70.26 -34.59 72.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.891 0.476 . . . . 0.0 112.106 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.88 -47.58 71.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 123.607 0.763 . . . . 0.0 111.33 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.04 -39.84 79.43 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.572 1.078 . . . . 0.0 112.664 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.03 79.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.646 0.779 . . . . 0.0 112.457 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.89 -47.67 83.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.177 1.391 . . . . 0.0 111.299 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.55 -44.18 83.09 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.816 1.646 . . . . 0.0 111.6 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -57.39 -34.87 69.32 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.127 -0.983 . . . . 0.0 112.028 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.47 -33.94 60.87 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.03 -31.34 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.959 1.254 . . . . 0.0 112.466 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -62.91 -28.84 70.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.349 1.06 . . . . 0.0 112.263 169.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -96.33 11.33 35.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.528 1.931 . . . . 0.0 113.596 174.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.313 0.4 OUTLIER 55.16 25.75 7.56 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.959 2.504 . . . . 0.0 116.125 177.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -94.22 -14.87 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.602 1.561 . . . . 0.0 114.127 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 141.75 51.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.008 1.723 . . . . 0.0 108.719 172.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -89.94 156.38 18.48 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.73 0.812 . . . . 0.0 112.931 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.45 -52.24 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.419 1.488 . . . . 0.0 111.71 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -79.12 -21.81 46.07 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.628 -0.67 . . . . 0.0 112.415 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -72.68 -40.67 66.09 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.244 -0.91 . . . . 0.0 110.893 171.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.14 69.58 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.231 -0.918 . . . . 0.0 112.335 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.27 -45.77 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.871 170.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -27.95 68.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.224 1.374 . . . . 0.0 113.62 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.0 -14.5 59.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.479 1.112 . . . . 0.0 113.524 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -56.92 3.08 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.45 1.5 . . . . 0.0 109.846 171.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 m -138.44 115.45 9.08 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 127.14 2.176 . . . . 0.0 109.131 176.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -54.85 138.89 78.16 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.486 2.79 . . . . 0.0 114.856 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -107.94 164.54 12.18 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.855 1.662 . . . . 0.0 113.199 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -124.91 173.4 8.66 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.883 2.073 . . . . 0.0 111.048 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 154.03 38.84 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 124.372 0.987 . . . . 0.0 113.949 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.31 -178.53 53.61 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.579 1.085 . . . . 0.0 113.57 -169.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.93 157.62 51.53 Favored Glycine 0 CA--C 1.543 1.816 0 C-N-CA 124.131 0.872 . . . . 0.0 114.788 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.6 m -110.91 4.07 19.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.6 1.56 . . . . 0.0 114.119 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.5 -167.44 54.53 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.526 1.06 . . . . 0.0 115.219 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.97 -168.42 40.3 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.638 1.589 . . . . 0.0 112.756 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.54 13.96 77.15 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.386 0.993 . . . . 0.0 114.429 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 t -154.11 168.79 25.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.134 2.173 . . . . 0.0 109.907 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 52.5 1.1 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.559 1.544 . . . . 0.0 113.382 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -69.42 158.57 34.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.484 1.513 . . . . 0.0 111.464 162.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.79 64.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.795 0.838 . . . . 0.0 112.642 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.77 -41.41 95.89 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.77 -35.35 67.42 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.747 0.703 . . . . 0.0 111.492 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.5 -45.65 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.999 0.919 . . . . 0.0 110.452 170.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -44.51 96.51 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 112.047 173.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -59.53 -47.14 86.7 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.835 0.743 . . . . 0.0 111.667 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -61.74 -36.51 81.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.816 1.246 . . . . 0.0 112.388 175.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -74.26 -40.23 62.48 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.341 1.056 . . . . 0.0 113.665 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -73.67 -32.67 64.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.403 -0.811 . . . . 0.0 112.309 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.38 -16.44 64.24 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.472 1.109 . . . . 0.0 113.072 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.52 5.88 88.03 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.596 1.094 . . . . 0.0 114.788 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.56 -23.7 74.63 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 118.594 1.197 . . . . 0.0 113.721 173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 tp -105.34 142.38 35.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.97 1.708 . . . . 0.0 110.99 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -85.56 158.76 20.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.05 0.94 . . . . 0.0 111.1 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttp-105 -66.46 -32.01 73.1 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.187 -0.945 . . . . 0.0 112.64 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.66 90.45 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.559 0.744 . . . . 0.0 112.108 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.45 86.36 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.872 0.869 . . . . 0.0 111.9 172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.0 93.82 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.938 0.79 . . . . 0.0 111.869 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -61.89 -41.42 97.86 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.566 -0.709 . . . . 0.0 112.352 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.25 77.11 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.633 0.651 . . . . 0.0 111.021 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.08 -37.56 66.73 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.312 1.445 . . . . 0.0 112.671 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.13 -33.51 74.62 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.71 -2.62 33.85 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.12 7.57 87.63 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.212 1.386 . . . . 0.0 115.778 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.7 169.5 13.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.786 1.634 . . . . 0.0 112.452 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.8 p -73.99 154.97 88.76 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.981 0.912 . . . . 0.0 111.488 165.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.18 -172.93 0.1 OUTLIER 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.345 3.364 . . . . 0.0 114.986 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.88 17.61 10.11 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.515 1.926 . . . . 0.0 115.537 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.06 158.86 35.18 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.558 0.743 . . . . 0.0 110.951 158.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.66 136.21 15.27 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 124.116 0.967 . . . . 0.0 112.129 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.42 96.15 1.09 Allowed 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.57 2.847 . . . . 0.0 110.383 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? 49.7 71.18 1.66 Allowed Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 126.638 1.975 . . . . 0.0 113.501 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.547 1.148 0 C-N-CA 123.797 2.998 . . . . 0.0 112.79 176.313 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 -23.66 17.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.598 2.865 . . . . 0.0 114.386 -175.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.14 -149.59 51.24 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.541 1.067 . . . . 0.0 113.88 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -142.24 148.25 37.81 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.594 1.557 . . . . 0.0 111.22 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -73.59 161.08 30.72 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.759 0.824 . . . . 0.0 112.797 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.8 t -75.33 165.34 25.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.041 1.337 . . . . 0.0 113.165 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.37 -175.74 42.67 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.005 1.288 . . . . 0.0 114.511 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 -10.58 57.56 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 119.076 -2.426 . . . . 0.0 114.293 -0.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.16 -166.8 54.88 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.347 0.975 . . . . 0.0 113.401 -173.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 156.99 84.36 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 123.706 0.802 . . . . 0.0 113.129 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -62.09 115.81 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.008 2.472 . . . . 0.0 112.503 171.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -74.95 142.24 43.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.271 1.028 . . . . 0.0 111.228 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.46 -27.56 48.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.684 0.794 . . . . 0.0 113.139 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.98 51.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.182 0.993 . . . . 0.0 113.21 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -76.53 -31.43 57.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 172.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.83 -48.71 75.72 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.28 0.632 . . . . 0.0 111.044 170.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -57.95 -38.62 76.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.244 0.929 . . . . 0.0 112.364 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.43 70.0 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.634 0.774 . . . . 0.0 112.165 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD21 ' HB1' ' A' ' 33' ' ' ALA . 8.8 tt -62.14 -41.69 98.52 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.419 1.487 . . . . 0.0 112.14 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.68 -44.17 71.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.385 1.874 . . . . 0.0 111.819 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -59.55 -34.99 73.36 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.163 -0.96 . . . . 0.0 112.201 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.47 -33.8 65.03 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.573 -0.705 . . . . 0.0 112.759 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.31 -31.6 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.759 -1.213 . . . . 0.0 112.519 175.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -65.71 -27.32 68.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.933 0.893 . . . . 0.0 113.119 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -96.85 11.96 33.89 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.959 1.304 . . . . 0.0 113.239 173.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 t30 59.47 27.11 16.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.728 2.011 . . . . 0.0 115.424 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -90.73 -22.51 21.05 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.261 1.425 . . . . 0.0 113.273 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -123.32 139.93 53.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.604 1.962 . . . . 0.0 109.277 -178.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.3 m -89.28 158.48 17.82 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.193 0.997 . . . . 0.0 113.448 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.6 mm -56.99 -50.04 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.223 -0.923 . . . . 0.0 111.08 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.91 -35.72 82.07 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.419 -0.801 . . . . 0.0 112.446 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -67.6 -44.95 76.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.846 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -63.68 -24.89 67.97 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.144 -0.972 . . . . 0.0 112.806 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -78.44 -43.07 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.152 0.981 . . . . 0.0 111.487 171.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -30.02 66.28 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.954 -1.092 . . . . 0.0 112.79 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -79.04 -18.46 53.5 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.435 1.094 . . . . 0.0 113.391 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.3 tp -74.43 -37.57 63.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.944 0.898 . . . . 0.0 112.324 172.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 m -61.64 118.91 42.52 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 124.369 1.068 . . . . 0.0 112.014 -164.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -81.99 171.92 12.45 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.874 3.049 . . . . 0.0 112.685 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -70.98 -22.15 62.23 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -111.44 136.83 50.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.315 1.846 . . . . 0.0 111.423 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.93 -25.1 74.66 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -173.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.03 -155.28 49.0 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.382 0.991 . . . . 0.0 114.436 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.34 -178.92 48.1 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.619 1.104 . . . . 0.0 113.616 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.9 m 52.4 42.48 31.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.432 1.493 . . . . 0.0 114.669 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.37 164.1 37.96 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.703 1.144 . . . . 0.0 114.693 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 37.66 1.14 Allowed Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.103 1.811 . . . . 0.0 116.274 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.43 -124.86 13.55 Favored Glycine 0 CA--C 1.534 1.279 0 CA-C-N 118.729 1.264 . . . . 0.0 112.829 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 m -80.77 46.98 0.92 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.504 1.521 . . . . 0.0 113.303 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.1 mtt -100.68 124.0 45.67 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.265 1.426 . . . . 0.0 109.715 170.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -138.19 132.32 31.67 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.879 1.672 . . . . 0.0 111.117 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.93 -32.95 71.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -62.73 -50.95 69.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.391 1.076 . . . . 0.0 111.04 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.08 -42.76 99.1 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.694 1.197 . . . . 0.0 111.459 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.26 -47.29 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.374 1.07 . . . . 0.0 110.851 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.91 -39.42 94.49 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.45 0.7 . . . . 0.0 112.132 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.8 m -63.31 -46.83 84.87 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.772 0.829 . . . . 0.0 110.837 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -65.59 -39.73 91.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.213 0.605 . . . . 0.0 112.143 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -63.09 -47.64 82.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.253 0.621 . . . . 0.0 111.813 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -67.29 -34.75 78.06 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -77.77 -3.05 39.38 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 172.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 9.86 86.19 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.691 1.139 . . . . 0.0 115.644 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.02 -9.36 86.76 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.185 1.374 . . . . 0.0 114.188 174.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.5 tp -131.98 138.47 48.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.308 1.843 . . . . 0.0 110.392 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.22 154.01 31.43 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.015 0.926 . . . . 0.0 112.058 174.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -63.7 -36.02 82.46 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.223 -0.923 . . . . 0.0 112.466 -177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.51 97.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.115 0.966 . . . . 0.0 112.61 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.1 -38.94 72.37 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.533 0.733 . . . . 0.0 111.506 175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.6 84.98 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.583 -0.698 . . . . 0.0 111.434 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -59.06 -43.67 91.76 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.835 0.743 . . . . 0.0 111.51 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.6 -54.36 46.29 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.465 0.706 . . . . 0.0 112.202 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -67.96 -34.54 76.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.052 1.341 . . . . 0.0 112.387 -175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.0 -33.79 70.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.766 0.826 . . . . 0.0 112.613 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.03 22.34 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 169.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.01 22.27 71.9 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.646 1.117 . . . . 0.0 115.215 175.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -126.1 159.31 33.18 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.946 1.699 . . . . 0.0 112.316 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.8 p -75.43 146.24 80.68 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 123.242 0.617 . . . . 0.0 111.86 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.73 148.08 51.95 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.078 2.518 . . . . 0.0 111.791 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.44 149.81 36.8 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.116 0.966 . . . . 0.0 113.219 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.03 157.24 25.52 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.524 1.13 . . . . 0.0 112.897 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.86 132.8 56.31 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 123.687 0.795 . . . . 0.0 111.541 171.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -82.35 17.55 1.57 Allowed 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 124.213 3.275 . . . . 0.0 114.252 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -137.8 142.34 36.07 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.799 2.039 . . . . 0.0 111.022 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo . . . . . 0 C--O 1.253 1.242 0 C-N-CA 123.897 3.065 . . . . 0.0 114.678 174.221 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.46 0 CA-C-O 119.486 -0.619 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.66 153.89 68.83 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.857 3.038 . . . . 0.0 112.512 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.88 165.52 54.69 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 123.97 0.795 . . . . 0.0 113.803 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 m 52.31 39.54 27.43 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.628 1.571 . . . . 0.0 114.453 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -65.97 146.84 54.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.918 0.887 . . . . 0.0 112.699 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 t -63.42 131.67 48.95 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.93 -0.88 12.02 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.162 1.363 . . . . 0.0 116.467 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.23 -15.7 1.09 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.84 156.44 53.43 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 118.99 0.814 . . . . 0.0 114.142 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.28 152.66 95.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.413 1.085 . . . . 0.0 112.224 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.74 144.62 99.58 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.054 2.503 . . . . 0.0 111.517 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -149.34 149.51 30.99 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.225 1.01 . . . . 0.0 112.577 -169.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -56.67 -27.88 59.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.08 0.952 . . . . 0.0 112.962 167.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.01 -33.66 57.52 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.827 0.739 . . . . 0.0 112.663 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.51 -34.93 67.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.996 0.919 . . . . 0.0 112.07 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.32 -47.89 63.11 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.9 0.88 . . . . 0.0 111.254 170.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.72 -39.73 71.47 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.716 0.806 . . . . 0.0 112.387 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 -30.23 66.77 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.69 -48.52 38.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 109.919 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -67.58 -39.99 84.87 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.425 1.49 . . . . 0.0 111.727 -174.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 p -61.85 -30.59 70.95 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.791 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.83 55.02 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.704 0.801 . . . . 0.0 111.74 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.51 -33.16 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.175 -0.953 . . . . 0.0 112.188 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -69.67 -19.59 63.59 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -108.32 18.79 20.64 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.185 1.794 . . . . 0.0 112.858 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 60.58 21.98 11.77 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.37 1.868 . . . . 0.0 115.255 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -85.23 -25.91 27.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.482 1.113 . . . . 0.0 112.524 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -130.46 151.29 51.1 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.418 1.887 . . . . 0.0 108.584 -177.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.428 ' H ' HD13 ' A' ' 28' ' ' LEU . 3.9 m -93.52 156.9 16.48 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.608 1.163 . . . . 0.0 112.936 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.6 -53.86 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.664 1.186 . . . . 0.0 110.477 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.39 -27.88 65.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -74.45 -42.31 59.31 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.781 0.832 . . . . 0.0 111.088 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -25.87 68.1 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 120.907 -1.121 . . . . 0.0 112.031 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.67 -43.01 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.326 1.05 . . . . 0.0 111.231 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -28.9 64.35 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.327 0.967 . . . . 0.0 113.348 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.57 -21.93 47.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.108 0.963 . . . . 0.0 113.226 173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tp -83.51 -49.94 8.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.322 1.449 . . . . 0.0 112.129 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 m -74.88 125.43 89.43 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 123.438 0.695 . . . . 0.0 112.391 -160.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.99 149.46 32.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.17 2.58 . . . . 0.0 111.81 176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.41 -22.94 58.91 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -94.67 -17.26 22.41 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.277 1.431 . . . . 0.0 114.445 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.98 -167.52 26.08 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.513 1.054 . . . . 0.0 113.665 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.46 169.13 26.49 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.256 0.932 . . . . 0.0 114.682 176.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.82 -148.11 45.74 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.98 1.276 . . . . 0.0 114.651 174.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -80.27 -1.67 41.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.087 1.355 . . . . 0.0 114.148 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.37 -4.69 54.57 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.732 1.634 . . . . 0.0 115.831 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.2 4.69 64.31 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.191 1.377 . . . . 0.0 116.51 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.08 -124.86 37.65 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.067 1.433 . . . . 0.0 112.555 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 m -89.92 10.96 21.87 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.2 ttm -86.27 58.48 5.08 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.313 1.445 . . . . 0.0 111.987 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -74.93 138.42 42.34 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.735 1.614 . . . . 0.0 113.805 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.9 72.61 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.923 0.889 . . . . 0.0 113.19 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -60.94 -51.82 67.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 0.0 111.2 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.68 -41.45 90.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.294 1.038 . . . . 0.0 111.734 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.0 mt -62.54 -49.75 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.374 1.07 . . . . 0.0 111.339 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.5 -38.16 90.08 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.43 -0.794 . . . . 0.0 112.262 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.8 m -62.29 -45.38 93.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.558 0.617 . . . . 0.0 111.366 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -69.18 -40.23 78.25 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.493 0.588 . . . . 0.0 112.343 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.78 -46.36 89.91 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.941 0.896 . . . . 0.0 111.752 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -70.61 -35.43 72.97 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -72.17 -13.34 61.52 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.444 1.098 . . . . 0.0 113.516 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.08 11.76 83.28 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.686 1.136 . . . . 0.0 114.782 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.53 -9.74 86.78 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.176 1.369 . . . . 0.0 113.674 171.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -137.67 138.12 39.09 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.544 1.938 . . . . 0.0 110.143 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.56 156.67 29.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.837 0.855 . . . . 0.0 112.138 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -63.53 -35.82 81.73 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.957 -1.09 . . . . 0.0 112.739 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.65 94.64 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.809 0.844 . . . . 0.0 112.788 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.12 71.07 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.558 -0.714 . . . . 0.0 111.514 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.09 96.17 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.652 -0.655 . . . . 0.0 111.5 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.04 -43.33 95.44 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.37 59.05 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.537 0.608 . . . . 0.0 111.849 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.46 -38.11 88.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.548 1.139 . . . . 0.0 112.105 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.56 -34.48 75.9 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.202 -0.936 . . . . 0.0 112.824 174.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.64 1.82 28.33 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.52 35.64 51.24 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 120.844 -1.16 . . . . 0.0 113.892 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -132.45 -176.13 3.99 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.672 2.389 . . . . 0.0 110.066 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 p -131.62 149.42 73.45 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 125.249 1.42 . . . . 0.0 111.218 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.98 153.09 73.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 123.33 2.687 . . . . 0.0 111.648 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.86 157.84 22.75 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.166 1.386 . . . . 0.0 112.258 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.35 8.65 15.44 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.178 1.391 . . . . 0.0 113.96 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.99 96.4 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 124.337 1.055 . . . . 0.0 112.387 -176.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -84.47 20.1 1.27 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 124.815 3.677 . . . . 0.0 113.746 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.59 156.69 78.3 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.704 2.001 . . . . 0.0 112.044 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.252 1.186 0 C-N-CA 123.894 3.063 . . . . 0.0 114.576 175.393 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.97 -14.7 15.19 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.92 3.08 . . . . 0.0 114.368 -176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.11 155.42 53.13 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.635 1.112 . . . . 0.0 114.669 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.4 p -96.33 173.63 7.28 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.823 1.649 . . . . 0.0 112.96 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -125.21 170.7 11.0 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.751 1.62 . . . . 0.0 111.673 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 t -131.91 172.55 12.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.136 1.374 . . . . 0.0 112.12 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.35 16.87 67.93 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.902 1.239 . . . . 0.0 114.588 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.03 158.28 35.11 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.808 1.243 . . . . 0.0 113.495 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.96 169.59 54.79 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.827 1.203 . . . . 0.0 115.125 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -78.83 163.59 59.81 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 125.548 1.539 . . . . 0.0 113.148 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -58.62 140.89 96.68 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.64 2.893 . . . . 0.0 113.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 m -74.47 127.45 33.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.403 1.081 . . . . 0.0 112.616 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -62.63 -29.11 70.37 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.79 0.836 . . . . 0.0 113.097 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.22 56.18 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.592 0.757 . . . . 0.0 112.617 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.89 -35.67 69.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.676 0.79 . . . . 0.0 111.529 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.64 -46.88 77.54 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.283 1.033 . . . . 0.0 111.059 169.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.61 -37.02 80.06 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.019 0.827 . . . . 0.0 113.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.29 87.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.55 -48.05 73.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.275 1.03 . . . . 0.0 110.958 175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.9 mt -66.75 -40.03 88.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.086 1.354 . . . . 0.0 111.976 -173.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -61.86 -32.04 72.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.135 0.879 . . . . 0.0 113.243 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.85 70.08 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.836 0.744 . . . . 0.0 111.955 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.16 -34.22 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 121.091 -1.005 . . . . 0.0 112.143 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 tpt85 -69.96 -27.61 64.87 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.19 12.5 22.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.273 1.429 . . . . 0.0 113.208 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.24 25.22 14.62 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.919 2.087 . . . . 0.0 115.101 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -83.18 -26.34 30.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.822 1.249 . . . . 0.0 112.419 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.15 148.0 49.5 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.694 1.998 . . . . 0.0 108.497 -174.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -91.46 165.16 13.53 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.282 -1.511 . . . . 0.0 113.452 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.87 -47.03 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.024 0.93 . . . . 0.0 110.093 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.07 -33.06 61.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.515 -0.74 . . . . 0.0 111.795 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -72.65 -40.22 66.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.538 0.735 . . . . 0.0 111.722 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.5 65.81 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.211 -1.556 . . . . 0.0 112.26 175.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.96 -44.96 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.385 1.074 . . . . 0.0 110.688 169.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -70.46 -28.78 65.28 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.484 1.038 . . . . 0.0 113.738 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.4 mt -79.75 -8.67 59.39 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.481 1.112 . . . . 0.0 113.31 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tt -113.95 -36.46 4.78 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.691 1.596 . . . . 0.0 112.81 -173.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.1 m -77.41 129.61 76.95 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 124.204 1.002 . . . . 0.0 111.657 -174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -70.54 151.03 64.37 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.266 2.644 . . . . 0.0 112.378 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -91.24 -5.56 54.63 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -123.3 149.79 44.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.786 2.034 . . . . 0.0 110.696 172.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.61 -173.93 32.84 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.288 0.947 . . . . 0.0 114.319 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.06 94.16 1.22 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.265 0.936 . . . . 0.0 112.475 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.15 -19.08 79.97 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.267 0.937 . . . . 0.0 115.026 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.2 p -152.36 158.52 42.82 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.772 1.629 . . . . 0.0 112.658 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.19 -134.29 8.45 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 126.198 1.856 . . . . 0.0 111.442 171.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 153.31 23.47 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.444 1.021 . . . . 0.0 112.761 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.48 21.48 70.64 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 124.196 0.903 . . . . 0.0 114.974 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -146.81 -173.93 4.35 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.993 1.717 . . . . 0.0 111.812 -172.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -76.17 70.98 2.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.617 1.567 . . . . 0.0 111.169 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.58 166.12 24.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.18 1.392 . . . . 0.0 111.724 160.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.19 64.43 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -59.6 -52.86 63.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.127 0.971 . . . . 0.0 111.213 176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -58.65 -41.82 86.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.54 1.136 . . . . 0.0 111.715 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.94 -51.52 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.394 1.078 . . . . 0.0 111.163 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.36 -37.16 86.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.552 -0.718 . . . . 0.0 112.357 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.4 m -61.83 -47.54 84.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.616 0.767 . . . . 0.0 111.028 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -67.55 -40.32 84.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -62.89 -46.59 87.09 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.663 0.785 . . . . 0.0 112.589 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.38 -33.82 73.62 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.12 -11.95 60.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.454 1.101 . . . . 0.0 113.64 173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.73 9.14 85.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.056 1.313 . . . . 0.0 115.116 -177.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.48 -8.28 87.66 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.337 1.446 . . . . 0.0 114.209 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 tp -135.21 140.78 45.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.357 1.863 . . . . 0.0 110.177 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.04 162.57 16.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -54.16 -47.42 71.98 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.811 1.244 . . . . 0.0 112.775 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.99 93.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.888 0.875 . . . . 0.0 112.248 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.29 65.86 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.87 0.868 . . . . 0.0 111.512 173.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.28 82.07 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.974 -1.079 . . . . 0.0 112.119 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.77 -41.93 95.5 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.776 -0.578 . . . . 0.0 112.171 173.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.13 -50.01 62.83 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.711 0.687 . . . . 0.0 111.559 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.13 -38.02 87.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.825 0.85 . . . . 0.0 112.635 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.71 -33.2 72.17 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.98 -2.21 39.1 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.77 15.83 76.75 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.867 1.222 . . . . 0.0 115.363 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -102.31 158.42 16.2 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.742 2.017 . . . . 0.0 111.942 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.0 p -72.38 148.59 90.91 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.436 0.694 . . . . 0.0 111.338 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.58 146.93 69.17 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.167 2.578 . . . . 0.0 112.249 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.84 147.38 35.2 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.122 0.969 . . . . 0.0 112.907 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.6 27.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.221 1.408 . . . . 0.0 110.785 171.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.32 56.71 8.93 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 126.086 1.755 . . . . 0.0 114.974 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.49 7.34 4.55 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 123.933 3.088 . . . . 0.0 115.456 -168.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -149.95 156.98 38.2 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 127.257 2.223 . . . . 0.0 112.601 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.251 1.169 0 C-N-CA 123.831 3.021 . . . . 0.0 112.352 168.856 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.31 145.19 92.75 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 113.988 -177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.52 -16.44 77.56 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 123.547 0.594 . . . . 0.0 114.19 173.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 p -69.61 155.59 40.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.172 1.789 . . . . 0.0 112.895 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -72.63 155.69 39.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 113.648 -170.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -73.04 120.03 18.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.554 -1.341 . . . . 0.0 111.559 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.92 -2.46 61.62 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.257 1.263 . . . . 0.0 116.257 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -8.37 56.47 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.068 1.347 . . . . 0.0 114.445 -175.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.0 -178.93 41.87 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 124.452 1.025 . . . . 0.0 114.064 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.86 148.14 44.97 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.411 1.085 . . . . 0.0 112.112 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -68.3 147.57 72.33 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.744 2.296 . . . . 0.0 111.618 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.0 p -72.9 158.3 35.77 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.296 0.57 . . . . 0.0 112.3 175.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -56.81 -24.9 54.13 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.705 -0.622 . . . . 0.0 112.362 168.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.95 -40.8 30.91 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.607 0.763 . . . . 0.0 112.034 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -69.09 -31.66 70.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.647 0.779 . . . . 0.0 112.91 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -70.5 -48.48 55.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 110.822 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.73 -38.49 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.507 1.048 . . . . 0.0 112.501 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.87 97.22 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.277 1.031 . . . . 0.0 112.375 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.13 -50.59 53.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.607 0.763 . . . . 0.0 111.08 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.0 mt -65.36 -36.34 83.69 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 111.58 -172.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.3 m -61.92 -32.31 72.7 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.772 0.714 . . . . 0.0 112.92 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.65 62.74 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.437 -0.789 . . . . 0.0 112.507 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -81.59 -32.95 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 121.252 -0.905 . . . . 0.0 112.002 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -63.24 -35.66 81.08 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.218 1.007 . . . . 0.0 112.863 170.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -86.09 12.85 8.71 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.573 1.149 . . . . 0.0 113.261 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.9 t30 55.96 28.81 13.22 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.138 2.175 . . . . 0.0 114.923 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -97.92 -18.17 18.82 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.782 1.633 . . . . 0.0 113.245 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.52 142.55 51.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 109.603 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 m -92.16 157.38 16.75 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.218 1.407 . . . . 0.0 112.832 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.3 mm -53.97 -53.31 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.005 1.322 . . . . 0.0 110.413 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.11 -30.88 69.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.255 0.622 . . . . 0.0 112.203 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -73.56 -35.98 65.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.247 1.019 . . . . 0.0 111.169 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.46 74.11 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.842 -1.161 . . . . 0.0 111.679 173.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.12 -43.5 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.972 0.909 . . . . 0.0 110.518 176.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t -69.71 -25.24 63.77 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.282 0.947 . . . . 0.0 113.335 -175.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.2 mt -84.31 -29.48 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.136 0.975 . . . . 0.0 113.114 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -85.93 -35.66 20.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.914 1.286 . . . . 0.0 113.682 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 t -62.32 139.19 96.38 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 123.987 0.915 . . . . 0.0 110.795 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.2 156.61 37.76 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.506 2.138 . . . . 0.0 113.359 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -56.62 140.5 46.66 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.867 1.667 . . . . 0.0 111.39 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 58.48 15.14 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.815 2.046 . . . . 0.0 114.653 -169.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.55 166.21 23.11 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.91 1.719 . . . . 0.0 114.858 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.79 -177.67 49.54 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.327 0.965 . . . . 0.0 113.705 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.45 158.44 52.43 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.283 0.944 . . . . 0.0 113.926 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.5 p -74.95 154.9 37.92 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.378 1.071 . . . . 0.0 113.081 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.73 -166.08 39.36 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.836 1.208 . . . . 0.0 113.714 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.54 146.66 10.86 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.939 1.257 . . . . 0.0 112.42 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.79 7.08 74.23 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.364 0.983 . . . . 0.0 115.239 -175.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -71.88 160.8 31.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.64 1.576 . . . . 0.0 113.279 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.3 mtt -75.18 90.84 2.57 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.089 0.956 . . . . 0.0 109.624 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.68 148.77 36.63 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.01 0.924 . . . . 0.0 111.565 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -37.77 65.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.921 0.888 . . . . 0.0 112.633 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -59.63 -55.0 39.9 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.837 0.855 . . . . 0.0 110.594 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -58.19 -41.02 83.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.78 0.832 . . . . 0.0 111.997 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.6 mt -63.27 -48.32 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.501 1.12 . . . . 0.0 111.259 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.65 -39.3 93.44 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.373 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -61.34 -45.36 94.73 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.374 0.988 . . . . 0.0 111.412 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -66.83 -39.72 87.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.198 0.908 . . . . 0.0 112.245 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.74 -45.7 91.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.627 0.771 . . . . 0.0 112.259 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -71.53 -34.41 70.03 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.693 -0.629 . . . . 0.0 112.668 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.04 -15.42 63.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.264 1.026 . . . . 0.0 113.511 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.95 10.29 83.16 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.039 1.305 . . . . 0.0 114.537 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.56 -7.2 88.67 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.842 1.211 . . . . 0.0 114.415 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.73 140.33 46.93 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.993 2.117 . . . . 0.0 110.376 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.12 155.76 27.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.136 0.975 . . . . 0.0 112.105 175.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -64.71 -34.39 78.2 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.047 -1.033 . . . . 0.0 112.746 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.18 93.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.821 0.848 . . . . 0.0 112.576 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.62 70.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 112.065 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.41 90.44 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.615 -0.678 . . . . 0.0 111.28 173.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.17 -45.33 87.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.282 -0.886 . . . . 0.0 111.937 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.74 67.93 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.062 0.945 . . . . 0.0 112.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.2 -33.56 74.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.729 1.212 . . . . 0.0 112.705 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.26 -34.89 68.56 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.734 0.814 . . . . 0.0 112.461 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.92 -28.36 63.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.962 0.905 . . . . 0.0 112.897 173.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.22 11.54 3.4 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.978 1.551 . . . . 0.0 116.978 163.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.85 161.17 41.82 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.132 1.966 . . . . 0.0 113.652 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.6 p -65.78 147.51 98.7 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.27 151.96 66.41 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.705 2.936 . . . . 0.0 112.744 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.36 151.36 36.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.044 1.738 . . . . 0.0 111.253 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.43 130.47 37.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.413 0.685 . . . . 0.0 112.371 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.43 68.85 11.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 125.182 1.393 . . . . 0.0 111.491 176.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.83 54.43 4.82 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.519 3.479 . . . . 0.0 112.53 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.73 148.74 87.7 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.599 1.56 . . . . 0.0 112.132 -175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo . . . . . 0 C--O 1.255 1.349 0 C-N-CA 123.851 3.034 . . . . 0.0 113.006 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -70.07 163.03 40.02 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 123.764 2.976 . . . . 0.0 112.684 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.13 158.67 30.71 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.602 1.096 . . . . 0.0 112.905 176.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.3 m -76.85 -23.15 52.69 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -152.83 152.58 31.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.324 1.45 . . . . 0.0 112.05 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.4 p -132.48 -45.47 0.9 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.986 1.314 . . . . 0.0 112.688 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 177.3 39.03 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.444 1.497 . . . . 0.0 114.854 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 158.66 29.03 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.709 1.204 . . . . 0.0 114.115 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.95 -160.93 35.67 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.21 1.386 . . . . 0.0 113.713 170.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.31 148.81 98.23 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.954 0.902 . . . . 0.0 112.519 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.54 142.28 32.59 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 111.847 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 t -77.5 151.64 34.5 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.674 0.79 . . . . 0.0 111.931 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -55.16 -27.96 49.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.299 0.64 . . . . 0.0 112.116 167.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -26.45 61.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.001 0.921 . . . . 0.0 112.929 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -83.05 -41.7 18.33 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.658 1.183 . . . . 0.0 111.769 172.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.18 -50.03 73.45 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.507 1.123 . . . . 0.0 111.316 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.91 -36.42 76.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.752 0.706 . . . . 0.0 112.827 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.34 65.43 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.911 0.884 . . . . 0.0 112.401 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.41 HD21 ' HB1' ' A' ' 33' ' ' ALA . 10.1 tt -66.06 -40.05 90.61 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.348 1.459 . . . . 0.0 112.053 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.63 -39.67 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.924 1.69 . . . . 0.0 112.21 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.7 m -62.59 -33.16 74.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.306 0.957 . . . . 0.0 112.836 174.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.94 -33.59 72.32 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.478 0.581 . . . . 0.0 112.004 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.88 -32.16 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.159 -0.963 . . . . 0.0 112.351 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -62.52 -32.94 73.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.024 0.93 . . . . 0.0 112.678 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -90.26 10.24 25.51 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.65 1.58 . . . . 0.0 113.942 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t30 62.45 24.57 14.63 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.307 1.843 . . . . 0.0 114.692 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -95.29 -23.87 17.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.223 1.409 . . . . 0.0 113.059 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.4 137.39 54.34 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.299 1.84 . . . . 0.0 108.638 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -87.59 158.65 18.83 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.274 1.03 . . . . 0.0 113.493 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.38 -52.35 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.497 1.119 . . . . 0.0 110.457 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.55 -34.08 71.85 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.0 -1.063 . . . . 0.0 112.24 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.07 -28.8 67.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.542 1.137 . . . . 0.0 112.226 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' A' ' 19' ' ' LEU . . . -76.77 -44.38 33.2 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.392 -0.817 . . . . 0.0 111.334 170.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.97 -37.69 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.582 1.153 . . . . 0.0 111.269 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 t -66.35 -23.29 66.32 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.48 -36.25 15.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.258 1.423 . . . . 0.0 113.109 172.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 mt -74.34 -30.0 61.83 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.435 1.494 . . . . 0.0 114.173 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.8 t -50.3 124.85 18.75 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -163.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.06 163.24 31.02 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.55 2.833 . . . . 0.0 113.87 -172.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 -73.1 -20.25 60.98 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.795 1.238 . . . . 0.0 113.489 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.69 116.79 29.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.521 1.929 . . . . 0.0 109.692 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.98 175.33 52.33 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.336 0.97 . . . . 0.0 114.812 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.57 -179.31 53.18 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.74 1.162 . . . . 0.0 114.979 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.57 -178.74 48.74 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.125 1.345 . . . . 0.0 112.907 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m -64.6 121.19 13.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.461 1.105 . . . . 0.0 112.459 -175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.2 -18.57 60.55 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 124.198 0.904 . . . . 0.0 115.019 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.12 -23.84 76.93 Favored Glycine 0 CA--C 1.537 1.464 0 CA-C-N 118.681 1.24 . . . . 0.0 114.711 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.39 8.58 5.33 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.265 1.412 . . . . 0.0 114.166 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m 53.15 92.77 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.504 1.921 . . . . 0.0 113.982 -173.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.4 mtt -109.53 117.21 33.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.38 1.072 . . . . 0.0 111.93 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.48 154.47 35.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.829 2.452 . . . . 0.0 108.042 168.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.08 64.57 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 118.997 0.817 . . . . 0.0 112.661 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -60.99 -54.57 43.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.908 0.883 . . . . 0.0 110.892 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.86 -38.65 91.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.838 0.855 . . . . 0.0 112.023 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.23 -47.23 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 110.953 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.6 mm? -65.86 -37.71 86.9 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.83 -0.544 . . . . 0.0 112.408 174.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.8 m -64.88 -43.86 91.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.885 0.766 . . . . 0.0 111.213 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -67.59 -41.28 84.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.254 1.022 . . . . 0.0 112.095 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.13 -44.83 95.77 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.274 1.03 . . . . 0.0 111.743 175.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -69.86 -35.29 74.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.394 0.678 . . . . 0.0 112.366 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.35 -14.97 62.36 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.986 1.314 . . . . 0.0 113.523 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.58 7.84 85.59 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.62 1.105 . . . . 0.0 114.526 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.48 -7.31 88.58 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.249 1.404 . . . . 0.0 114.673 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.0 tp -132.35 139.45 48.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.268 1.827 . . . . 0.0 110.562 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -79.2 159.97 27.13 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.546 0.738 . . . . 0.0 112.005 175.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.61 -39.61 91.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.314 1.045 . . . . 0.0 111.751 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.94 96.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.082 0.553 . . . . 0.0 112.111 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.91 77.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.242 0.617 . . . . 0.0 111.881 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.34 82.14 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.736 0.698 . . . . 0.0 111.42 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.651 0.781 . . . . 0.0 112.676 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.31 -54.17 49.91 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.747 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.99 -32.75 71.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.648 1.179 . . . . 0.0 112.439 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.22 70.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.034 0.834 . . . . 0.0 112.698 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.87 -4.27 39.89 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 171.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.13 18.22 78.73 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.818 1.199 . . . . 0.0 116.057 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -131.45 143.67 50.6 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.076 1.35 . . . . 0.0 111.419 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.2 p -73.56 144.05 83.05 Favored Pre-proline 0 N--CA 1.476 0.868 0 O-C-N 121.195 -0.941 . . . . 0.0 113.208 -174.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.24 162.75 40.73 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.735 2.957 . . . . 0.0 112.214 174.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.9 157.79 44.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 112.381 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.38 1.82 27.41 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -138.63 73.13 41.89 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.541 1.936 . . . . 0.0 110.294 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -80.48 16.28 1.59 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 124.58 3.52 . . . . 0.0 114.864 -171.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -136.61 114.29 10.29 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 126.449 1.899 . . . . 0.0 110.187 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--O 1.254 1.297 0 C-N-CA 123.502 2.802 . . . . 0.0 112.962 177.131 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 CA-C-O 120.096 -0.28 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.99 155.13 51.93 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.42 3.414 . . . . 0.0 114.227 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.15 15.95 79.82 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.294 0.949 . . . . 0.0 115.395 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.1 p -82.73 -6.06 59.2 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -173.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.98 136.23 57.73 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.17 0.988 . . . . 0.0 113.619 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -139.39 158.68 43.74 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.741 2.016 . . . . 0.0 110.454 170.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.55 134.18 2.3 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 121.501 -0.75 . . . . 0.0 112.789 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.1 38.54 17.13 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.6 1.16 . . . . 0.0 113.197 -169.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.93 -143.06 16.26 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.683 1.611 . . . . 0.0 112.746 -167.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -135.65 157.79 75.53 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.864 1.666 . . . . 0.0 111.637 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -59.42 149.3 82.41 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.271 2.647 . . . . 0.0 112.538 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 p -128.04 150.82 49.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.775 1.23 . . . . 0.0 111.349 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -59.39 -25.79 64.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.97 -0.456 . . . . 0.0 112.211 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.69 63.99 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.807 0.843 . . . . 0.0 112.657 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -73.17 -39.16 65.84 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.118 0.967 . . . . 0.0 112.464 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.38 -49.01 68.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.446 1.098 . . . . 0.0 111.572 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.53 -37.57 81.59 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.194 -0.941 . . . . 0.0 112.764 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.48 85.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.889 0.875 . . . . 0.0 112.388 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -65.99 -48.8 70.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.354 1.061 . . . . 0.0 111.349 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.02 -41.62 97.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.349 1.459 . . . . 0.0 111.775 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 m -60.55 -33.76 73.15 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.276 -0.89 . . . . 0.0 112.936 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.54 63.98 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.674 0.67 . . . . 0.0 112.276 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.4 -33.22 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.64 1.109 . . . . 0.0 112.774 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -65.3 -29.55 70.32 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.15 0.98 . . . . 0.0 112.392 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -90.45 8.32 34.36 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.62 1.968 . . . . 0.0 113.144 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 t30 58.72 26.93 15.23 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.54 1.936 . . . . 0.0 115.159 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -93.44 -21.75 19.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.658 1.583 . . . . 0.0 113.065 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -123.13 137.86 54.8 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.373 1.869 . . . . 0.0 109.057 -178.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -85.89 156.31 20.57 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.782 0.833 . . . . 0.0 112.863 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.5 mm -52.43 -53.98 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.26 1.424 . . . . 0.0 111.487 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -74.05 -24.95 59.6 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -69.08 -43.0 75.45 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.313 -0.867 . . . . 0.0 110.419 169.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -65.61 -25.41 67.38 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.873 -1.142 . . . . 0.0 112.885 175.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.8 t -74.21 -46.69 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.109 0.868 . . . . 0.0 110.724 170.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.19 -29.25 68.07 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.765 1.166 . . . . 0.0 113.198 -178.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.64 -21.82 41.09 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.37 1.068 . . . . 0.0 113.129 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -76.72 -62.89 1.49 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.026 1.331 . . . . 0.0 109.986 171.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.2 m -165.93 126.97 1.32 Allowed Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 127.253 2.221 . . . . 0.0 108.743 169.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.39 125.84 14.03 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.525 2.15 . . . . 0.0 110.65 173.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -128.04 137.75 52.3 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.297 1.439 . . . . 0.0 112.788 -168.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -90.58 -34.41 15.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 0.0 113.008 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.18 82.42 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.412 1.482 . . . . 0.0 114.889 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.29 -170.47 42.51 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.156 1.36 . . . . 0.0 114.535 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.99 -164.4 54.73 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.242 0.925 . . . . 0.0 114.526 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.1 m -60.29 127.27 30.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.215 1.006 . . . . 0.0 111.924 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.87 5.93 71.28 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.256 0.931 . . . . 0.0 114.905 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.82 -168.82 32.43 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.487 1.518 . . . . 0.0 114.495 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.05 167.33 42.83 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.596 1.093 . . . . 0.0 114.736 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -74.3 149.68 40.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 0.0 112.755 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 49.26 41.56 20.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.564 1.546 . . . . 0.0 113.573 -172.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.28 153.41 37.97 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.076 0.95 . . . . 0.0 112.448 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.32 -34.98 67.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -63.33 -49.92 72.06 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.787 1.176 . . . . 0.0 111.408 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -61.03 -41.99 97.61 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.71 1.204 . . . . 0.0 111.652 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -62.42 -48.19 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.272 1.029 . . . . 0.0 110.919 176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.3 mm? -62.59 -39.33 93.39 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.234 0.47 . . . . 0.0 112.061 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.2 m -62.02 -45.94 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.403 0.681 . . . . 0.0 110.718 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -67.72 -37.57 82.41 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.35 0.66 . . . . 0.0 112.595 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -66.47 -41.34 89.18 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.753 0.821 . . . . 0.0 112.654 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -73.42 -33.43 64.94 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.462 -0.774 . . . . 0.0 112.401 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.88 -12.44 61.55 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.549 1.14 . . . . 0.0 113.496 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.87 7.1 88.52 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.906 1.241 . . . . 0.0 114.625 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.26 -13.74 83.29 Favored Glycine 0 CA--C 1.545 1.917 0 C-N-CA 125.126 1.346 . . . . 0.0 114.006 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.3 tp -122.51 136.17 54.82 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.877 1.671 . . . . 0.0 110.617 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.86 156.1 30.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.216 1.006 . . . . 0.0 112.219 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -58.85 -39.33 80.99 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.431 0.692 . . . . 0.0 112.722 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.22 98.42 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.323 0.649 . . . . 0.0 112.009 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.08 -39.83 68.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.663 0.785 . . . . 0.0 111.808 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.04 91.14 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.534 -0.729 . . . . 0.0 111.899 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.6 -45.63 92.03 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.671 -0.643 . . . . 0.0 111.948 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.48 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.843 0.857 . . . . 0.0 111.99 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.46 -31.86 70.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.638 1.175 . . . . 0.0 112.284 -173.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.38 -34.56 68.03 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.085 0.857 . . . . 0.0 112.955 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.41 -1.76 46.88 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.99 67.32 Favored Glycine 0 CA--C 1.539 1.593 0 O-C-N 121.027 -1.046 . . . . 0.0 114.49 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -117.96 178.02 4.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.983 2.513 . . . . 0.0 111.055 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 p -114.76 146.67 36.54 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.904 1.282 . . . . 0.0 111.988 172.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -72.06 149.12 51.99 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.851 2.367 . . . . 0.0 112.904 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.91 138.16 58.17 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.843 0.857 . . . . 0.0 111.95 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 57.4 11.48 1.18 Allowed 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -172.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.77 65.14 4.97 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 127.106 2.163 . . . . 0.0 115.591 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.16 72.84 3.97 Favored 'Trans proline' 0 CA--C 1.549 1.255 0 C-N-CA 124.67 3.58 . . . . 0.0 112.168 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 48.18 52.22 12.13 Favored Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 127.238 2.215 . . . . 0.0 114.718 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 C--O 1.254 1.277 0 C-N-CA 123.189 2.593 . . . . 0.0 112.924 173.68 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.02 161.17 46.96 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 124.047 3.165 . . . . 0.0 112.814 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.23 145.79 43.31 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.044 0.83 . . . . 0.0 113.66 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -73.81 158.86 33.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 113.089 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -120.24 155.98 32.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.368 1.467 . . . . 0.0 112.177 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.3 p -94.77 -16.76 22.75 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -167.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 -19.53 60.56 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.7 1.143 . . . . 0.0 115.637 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.99 -10.47 59.77 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.42 -142.81 9.36 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.306 1.431 . . . . 0.0 114.466 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.85 148.94 98.68 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.472 1.509 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.76 156.13 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.532 2.822 . . . . 0.0 112.766 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -95.7 157.91 15.69 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.613 1.565 . . . . 0.0 112.672 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -55.87 -25.43 42.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 163.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.2 64.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -74.61 -35.43 62.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.824 0.85 . . . . 0.0 112.154 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.18 -48.69 64.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.314 1.046 . . . . 0.0 111.138 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.92 -39.48 74.56 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.295 1.038 . . . . 0.0 112.986 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.08 86.01 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.51 -43.65 59.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.233 1.413 . . . . 0.0 110.98 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.72 -38.56 89.52 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 112.606 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -62.54 -30.41 71.28 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.087 0.858 . . . . 0.0 113.011 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.6 69.09 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.097 0.862 . . . . 0.0 111.664 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.61 -35.5 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.92 -1.113 . . . . 0.0 112.244 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -70.08 -24.7 63.27 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.11 14.16 24.82 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.477 1.511 . . . . 0.0 113.215 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.88 27.05 15.65 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.73 2.012 . . . . 0.0 114.705 176.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -83.59 -27.71 29.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.75 1.22 . . . . 0.0 112.334 170.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 143.09 51.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.815 1.646 . . . . 0.0 109.312 -172.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -81.6 155.61 25.58 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.14 -0.975 . . . . 0.0 112.474 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.76 -46.67 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.076 1.35 . . . . 0.0 110.696 168.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.66 -35.5 52.34 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.147 -0.971 . . . . 0.0 112.233 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -71.52 -26.62 62.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.082 0.953 . . . . 0.0 112.197 175.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.46 -40.66 64.0 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.005 -1.059 . . . . 0.0 111.768 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.21 -40.94 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.37 1.068 . . . . 0.0 110.759 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -68.8 -24.28 64.38 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.4 mt -88.69 -35.25 16.87 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.69 1.196 . . . . 0.0 112.524 173.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -78.49 -36.78 44.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.712 1.205 . . . . 0.0 113.72 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.4 m -63.67 132.41 95.19 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-O 118.477 -0.773 . . . . 0.0 111.545 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.27 146.48 60.63 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.358 2.705 . . . . 0.0 113.838 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -72.67 -18.49 61.55 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.471 1.109 . . . . 0.0 113.658 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.21 146.52 37.03 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.844 2.058 . . . . 0.0 111.145 174.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.23 -168.22 44.05 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 114.31 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.67 -7.23 59.07 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.458 1.504 . . . . 0.0 116.3 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.18 175.86 54.6 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.553 1.177 . . . . 0.0 113.844 175.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -73.39 -6.88 49.09 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.749 1.22 . . . . 0.0 114.081 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.47 4.67 55.05 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 125.829 1.68 . . . . 0.0 116.097 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.69 166.05 46.94 Favored Glycine 0 CA--C 1.544 1.882 0 C-N-CA 124.616 1.103 . . . . 0.0 113.83 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.54 172.82 45.49 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.656 1.122 . . . . 0.0 114.113 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.5 p -94.6 17.25 13.64 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 40.1 mtm -139.28 125.2 19.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.846 1.659 . . . . 0.0 110.03 172.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.65 148.28 50.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.674 1.19 . . . . 0.0 112.978 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.79 -37.23 75.85 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.29 -0.881 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -56.99 -52.7 64.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.712 1.205 . . . . 0.0 111.415 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -59.94 -43.02 95.24 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.604 1.162 . . . . 0.0 111.536 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.09 -47.55 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.832 0.853 . . . . 0.0 111.343 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.85 -38.32 90.35 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.65 -0.657 . . . . 0.0 111.545 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -61.48 -45.9 92.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 0.0 110.887 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -68.23 -41.91 80.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.019 0.927 . . . . 0.0 112.537 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.23 -45.98 90.89 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.561 1.144 . . . . 0.0 112.098 177.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -70.44 -34.38 72.39 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.81 -13.13 61.24 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.158 0.983 . . . . 0.0 113.312 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.45 10.27 82.2 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.809 1.195 . . . . 0.0 114.617 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.53 -8.27 87.71 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.095 1.331 . . . . 0.0 114.135 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 tp -138.05 141.27 40.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.234 1.813 . . . . 0.0 110.788 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -83.44 154.53 23.91 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.254 1.022 . . . . 0.0 111.604 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.55 -39.7 84.86 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.292 0.637 . . . . 0.0 112.521 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.6 94.67 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 0.0 112.296 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.13 67.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.634 0.774 . . . . 0.0 111.595 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.52 69.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.431 0.693 . . . . 0.0 111.396 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.61 -42.39 88.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.043 0.937 . . . . 0.0 112.688 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.11 79.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.727 0.811 . . . . 0.0 113.059 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -32.82 18.34 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.184 1.394 . . . . 0.0 112.34 -176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.12 -35.51 79.89 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.011 1.325 . . . . 0.0 112.233 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -15.56 57.57 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 170.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.42 18.52 77.81 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.034 1.302 . . . . 0.0 115.927 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -97.59 -18.19 19.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.118 1.367 . . . . 0.0 113.642 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.3 p 64.01 144.33 0.08 OUTLIER Pre-proline 0 N--CA 1.486 1.37 0 C-N-CA 129.317 3.047 . . . . 0.0 115.369 -177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.04 156.58 51.84 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.051 2.501 . . . . 0.0 112.662 -174.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.3 159.03 43.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.583 1.553 . . . . 0.0 112.726 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.75 166.3 27.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.194 1.398 . . . . 0.0 112.51 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.14 147.87 52.19 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.275 1.43 . . . . 0.0 110.99 170.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.09 15.06 1.94 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 124.337 3.358 . . . . 0.0 114.147 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.27 148.0 83.3 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 125.906 1.683 . . . . 0.0 112.447 -175.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--O 1.252 1.213 0 C-N-CA 123.619 2.879 . . . . 0.0 113.167 178.269 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -67.32 -22.36 46.14 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.624 2.883 . . . . 0.0 115.883 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.43 -148.88 42.88 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.243 0.925 . . . . 0.0 113.253 -177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.3 t -142.66 151.57 41.54 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.036 1.334 . . . . 0.0 111.37 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -147.28 145.86 29.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.711 1.604 . . . . 0.0 111.511 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.2 p -139.15 149.97 45.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.616 1.567 . . . . 0.0 111.881 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.46 -32.54 50.93 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.855 0.74 . . . . 0.0 114.592 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.83 -173.42 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 127.019 2.127 . . . . 0.0 115.404 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.96 2.96 90.7 Favored Glycine 0 CA--C 1.538 1.472 0 N-CA-C 116.289 1.276 . . . . 0.0 116.289 175.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -141.79 152.26 62.05 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 126.01 1.724 . . . . 0.0 111.544 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.22 146.11 68.61 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.851 2.367 . . . . 0.0 111.565 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -75.13 162.86 28.14 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.439 -0.788 . . . . 0.0 112.204 176.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -57.66 -24.7 58.01 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.677 -0.639 . . . . 0.0 112.071 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.25 28.48 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.777 0.717 . . . . 0.0 112.391 177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.52 -42.21 95.99 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.678 0.791 . . . . 0.0 111.607 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -71.64 -47.62 53.24 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.869 1.267 . . . . 0.0 112.082 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.0 -38.41 82.53 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.56 1.073 . . . . 0.0 112.615 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.81 93.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.699 0.799 . . . . 0.0 112.461 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.12 -49.1 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.289 1.035 . . . . 0.0 111.1 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.2 mt -67.18 -39.91 86.48 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.158 1.383 . . . . 0.0 111.87 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -62.8 -30.03 71.16 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.256 -0.903 . . . . 0.0 112.605 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.55 -35.54 63.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.197 0.599 . . . . 0.0 112.546 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.6 p -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 O-C-N 121.247 -0.908 . . . . 0.0 112.166 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.05 -33.73 76.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 112.484 173.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.8 15.29 13.22 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.379 1.472 . . . . 0.0 113.267 174.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.9 t30 60.62 20.77 10.67 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.143 1.777 . . . . 0.0 115.431 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -84.73 -28.1 26.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.696 1.198 . . . . 0.0 112.569 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.01 141.87 51.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.87 1.668 . . . . 0.0 109.147 -173.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 m -89.83 159.25 17.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.666 1.186 . . . . 0.0 112.475 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.5 mm -53.37 -53.26 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.748 1.219 . . . . 0.0 110.875 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.0 -30.11 67.34 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.744 -0.598 . . . . 0.0 112.157 -175.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -74.16 -37.56 63.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.551 0.74 . . . . 0.0 111.211 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.7 74.36 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.66 -1.275 . . . . 0.0 111.981 174.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.9 t -71.48 -40.79 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.709 0.804 . . . . 0.0 110.917 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -26.02 62.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.094 0.861 . . . . 0.0 113.269 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.5 mt -87.21 -13.46 43.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.697 1.199 . . . . 0.0 113.694 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -73.67 -35.04 65.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.706 1.203 . . . . 0.0 113.068 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -46.6 115.12 3.04 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 125.791 1.636 . . . . 0.0 114.061 -162.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -62.14 150.49 86.5 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 123.105 2.537 . . . . 0.0 114.09 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.02 1.12 54.96 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 114.536 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -125.29 147.54 49.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 127.177 2.191 . . . . 0.0 111.147 -177.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.29 -14.42 56.75 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 115.738 1.055 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -0.46 67.39 Favored Glycine 0 CA--C 1.543 1.819 0 C-N-CA 125.252 1.406 . . . . 0.0 115.785 174.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.3 150.58 37.08 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.021 1.411 . . . . 0.0 114.327 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.6 t -73.41 147.61 44.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.279 1.032 . . . . 0.0 112.628 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.29 159.27 21.63 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.137 1.351 . . . . 0.0 113.562 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.0 -166.92 37.79 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.557 1.075 . . . . 0.0 113.494 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.86 -5.06 73.64 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.038 1.304 . . . . 0.0 115.069 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -143.74 171.27 14.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.668 1.987 . . . . 0.0 110.715 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 85.3 mtp 54.59 42.67 31.13 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.914 1.686 . . . . 0.0 113.368 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -71.86 141.38 49.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.557 0.743 . . . . 0.0 111.049 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.9 85.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.243 1.017 . . . . 0.0 112.645 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.86 -51.95 67.51 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.956 0.902 . . . . 0.0 111.1 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.62 -41.67 95.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.379 1.472 . . . . 0.0 111.599 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.3 mt -63.91 -48.57 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.073 0.949 . . . . 0.0 111.244 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.84 -37.32 86.35 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.598 -0.689 . . . . 0.0 111.697 175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.3 m -63.13 -45.91 89.74 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.981 0.809 . . . . 0.0 110.835 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -66.51 -40.85 89.43 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.673 0.789 . . . . 0.0 112.354 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.31 -45.78 89.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.887 0.875 . . . . 0.0 111.995 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -71.91 -34.52 69.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -69.36 -15.15 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.224 1.01 . . . . 0.0 113.561 171.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.26 11.92 81.49 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.725 1.155 . . . . 0.0 114.7 -178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.02 90.01 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.256 1.408 . . . . 0.0 114.17 171.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 tp -137.43 140.49 41.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.141 1.776 . . . . 0.0 110.664 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -79.99 157.79 26.72 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.742 0.817 . . . . 0.0 112.42 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttp-105 -65.8 -34.29 77.82 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.175 -0.953 . . . . 0.0 112.688 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.25 93.6 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.142 0.977 . . . . 0.0 112.358 172.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.78 -39.13 70.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.453 0.701 . . . . 0.0 111.826 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.7 95.28 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.589 -0.695 . . . . 0.0 111.279 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.58 -46.95 85.85 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.815 0.734 . . . . 0.0 112.051 174.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.72 55.12 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.553 0.741 . . . . 0.0 111.709 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.83 -37.41 81.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.683 1.193 . . . . 0.0 112.187 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.66 -33.96 75.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.998 0.817 . . . . 0.0 113.129 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.55 25.97 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.21 17.89 80.14 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.738 1.161 . . . . 0.0 114.69 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -107.02 179.18 4.34 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.077 2.151 . . . . 0.0 110.803 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.0 p -116.92 154.91 49.71 Favored Pre-proline 0 N--CA 1.479 1.002 0 C-N-CA 124.909 1.284 . . . . 0.0 111.792 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -58.94 142.46 99.25 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.193 2.595 . . . . 0.0 113.615 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.37 156.4 17.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.769 1.228 . . . . 0.0 113.185 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.33 153.07 36.89 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.73 1.612 . . . . 0.0 111.521 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.8 131.2 50.02 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 123.738 0.815 . . . . 0.0 111.452 174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -83.7 10.07 3.84 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 124.068 3.179 . . . . 0.0 114.591 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -145.97 143.85 20.48 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 127.198 2.199 . . . . 0.0 111.268 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 C--O 1.255 1.361 0 C-N-CA 123.57 2.846 . . . . 0.0 114.155 176.318 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -61.12 164.94 13.38 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 124.355 3.37 . . . . 0.0 114.34 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.67 -2.47 56.35 Favored Glycine 0 CA--C 1.542 1.762 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.8 p -136.45 159.41 41.86 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.404 1.882 . . . . 0.0 112.159 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -145.04 159.2 43.32 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.13 1.372 . . . . 0.0 112.103 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -78.66 140.41 38.39 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.909 1.284 . . . . 0.0 113.574 -175.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.55 -167.08 36.56 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.914 1.245 . . . . 0.0 113.878 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.76 -153.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.236 1.814 . . . . 0.0 114.403 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.51 -158.7 21.0 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.474 1.511 . . . . 0.0 113.712 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -86.5 146.89 42.84 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.995 1.318 . . . . 0.0 112.271 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -62.54 149.11 92.11 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.14 2.56 . . . . 0.0 114.575 177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 t -98.4 136.95 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.742 1.617 . . . . 0.0 110.841 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -58.07 -27.64 63.83 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 174.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.45 -34.33 58.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.498 0.719 . . . . 0.0 112.781 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.92 -36.62 62.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.552 1.141 . . . . 0.0 112.104 174.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.1 -50.13 67.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.296 1.038 . . . . 0.0 111.267 173.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -56.19 -38.03 70.42 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.177 0.991 . . . . 0.0 113.075 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.56 78.91 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.725 0.81 . . . . 0.0 112.449 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.06 -32.71 67.33 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.018 1.327 . . . . 0.0 112.617 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -72.58 -37.86 68.04 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.467 1.507 . . . . 0.0 112.108 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -65.59 -35.38 80.65 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.064 -1.022 . . . . 0.0 112.366 169.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.91 80.05 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -75.95 -30.48 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 120.635 -1.291 . . . . 0.0 112.786 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -68.08 -29.7 68.72 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.1 10.56 40.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.256 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.268 3.3 t-20 51.89 36.12 17.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 128.104 2.561 . . . . 0.0 114.536 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -77.32 -27.44 52.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.199 1.0 . . . . 0.0 110.808 161.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD13 ' H ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -113.05 162.9 15.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.787 2.035 . . . . 0.0 109.295 164.426 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.508 ' H ' HD13 ' A' ' 28' ' ' LEU . 73.8 m -121.33 158.01 29.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.52 1.528 . . . . 0.0 111.368 176.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.6 mm -53.5 -47.66 59.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.884 1.274 . . . . 0.0 111.374 -174.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.77 -29.26 58.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.45 -0.781 . . . . 0.0 112.6 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -73.42 -32.56 64.49 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.427 -0.795 . . . . 0.0 110.886 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.89 87.03 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 120.454 -1.404 . . . . 0.0 111.558 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.39 -38.14 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.763 0.825 . . . . 0.0 110.622 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -71.96 -27.73 62.97 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -82.23 -32.67 29.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.076 0.951 . . . . 0.0 112.937 172.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.78 -39.73 69.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.676 1.59 . . . . 0.0 111.901 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m 60.62 102.0 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.753 2.421 . . . . 0.0 112.086 -168.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.64 141.46 85.9 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.167 2.578 . . . . 0.0 113.438 -168.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -118.87 149.95 40.69 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.912 1.685 . . . . 0.0 111.201 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -73.04 139.55 46.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.928 1.291 . . . . 0.0 112.998 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.25 -15.18 77.37 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 124.417 1.008 . . . . 0.0 114.092 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -177.6 171.49 44.14 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 125.109 1.337 . . . . 0.0 113.719 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.21 6.83 40.75 Favored Glycine 0 CA--C 1.542 1.776 0 C-N-CA 125.786 1.66 . . . . 0.0 116.386 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -143.91 157.8 44.11 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.909 1.683 . . . . 0.0 111.702 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.54 -165.09 47.77 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.644 1.116 . . . . 0.0 114.64 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.25 176.47 42.66 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.127 1.346 . . . . 0.0 112.879 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.55 6.21 75.88 Favored Glycine 0 CA--C 1.539 1.571 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -132.42 138.36 47.62 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.335 1.454 . . . . 0.0 111.078 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.5 mpt? 53.22 37.43 25.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.236 1.414 . . . . 0.0 112.851 -172.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.12 157.97 32.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.539 1.135 . . . . 0.0 110.488 166.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.99 62.11 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.465 -0.772 . . . . 0.0 112.875 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -58.9 -51.62 69.25 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.879 0.872 . . . . 0.0 112.215 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -64.16 -41.1 97.29 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.881 0.472 . . . . 0.0 111.366 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.3 mt -61.87 -48.14 90.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.478 1.111 . . . . 0.0 111.138 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.1 mm? -65.3 -40.14 93.41 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.678 -0.639 . . . . 0.0 112.007 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.8 m -61.78 -46.98 87.22 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 0.698 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -68.97 -38.09 79.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.662 0.785 . . . . 0.0 112.433 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -61.81 -44.21 97.32 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.314 0.961 . . . . 0.0 112.023 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -73.77 -33.57 64.32 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.33 -22.77 59.09 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.494 1.118 . . . . 0.0 113.799 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.09 10.28 62.7 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.577 1.084 . . . . 0.0 114.759 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.07 -8.67 86.94 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.665 1.126 . . . . 0.0 113.766 168.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 tp -139.75 139.39 36.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.021 1.728 . . . . 0.0 111.525 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.63 157.92 22.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.458 1.103 . . . . 0.0 112.282 174.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.64 -40.48 83.53 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.633 0.773 . . . . 0.0 112.785 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.42 98.49 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.722 0.809 . . . . 0.0 112.155 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.55 70.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.622 0.769 . . . . 0.0 111.772 174.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.17 86.66 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.304 -0.872 . . . . 0.0 111.805 175.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -61.36 -45.65 93.52 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.752 -0.593 . . . . 0.0 111.652 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.97 75.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.483 0.713 . . . . 0.0 112.5 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 mp -71.54 -35.37 70.62 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.811 1.244 . . . . 0.0 112.204 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.3 mt -66.94 -35.53 80.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.949 0.795 . . . . 0.0 112.789 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.15 -1.89 34.84 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.49 19.8 75.64 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.794 1.188 . . . . 0.0 115.68 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -112.46 167.88 10.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.377 1.871 . . . . 0.0 112.54 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.9 p -67.62 150.45 97.82 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 123.986 0.914 . . . . 0.0 112.256 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.98 172.58 15.16 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 123.621 2.881 . . . . 0.0 113.016 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.72 -178.82 0.14 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.025 2.13 . . . . 0.0 115.231 -175.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 156.65 34.85 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.264 1.425 . . . . 0.0 114.027 -172.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 45.38 59.86 14.07 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.335 1.854 . . . . 0.0 114.642 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -79.8 62.65 8.57 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 124.53 3.486 . . . . 0.0 112.298 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -147.1 161.18 37.71 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 126.68 1.992 . . . . 0.0 112.398 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 C--O 1.256 1.417 0 C-N-CA 124.024 3.149 . . . . 0.0 114.36 176.329 . . . . . . . . 0 0 . 1 stop_ save_