data_6but_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6but _Structure_validation_residue.Date_analyzed 2019-06-14 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -70.64 -45.06 65.88 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.113 0.965 . . . . 0.0 111.869 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -45.95 92.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.29 0.636 . . . . 0.0 110.59 172.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.12 -45.48 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.073 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.72 74.7 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.765 1.166 . . . . 0.0 112.975 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.46 -46.65 75.67 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.113 -0.992 . . . . 0.0 111.573 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -65.69 -36.97 85.15 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.438 0.695 . . . . 0.0 112.279 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.21 -52.3 64.92 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.769 1.627 . . . . 0.0 110.936 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.42 -52.08 63.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.464 0.705 . . . . 0.0 111.62 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.4 75.67 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -71.05 -47.6 57.57 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.454 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -62.44 -28.32 69.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.638 1.175 . . . . 0.0 113.153 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.25 -19.39 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.807 1.243 . . . . 0.0 113.854 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -120.59 4.27 10.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 112.817 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 120.706 -1.246 . . . . 0.0 110.202 172.172 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.63 26.55 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.017 1.294 . . . . 0.0 114.229 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 p -140.63 158.19 44.35 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.916 1.358 . . . . 0.0 114.302 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -135.63 171.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 127.527 2.331 . . . . 0.0 110.516 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.4 p -83.7 159.06 21.59 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 122.421 1.105 . . . . 0.0 112.925 169.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 p -60.41 -28.25 68.11 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.449 1.099 . . . . 0.0 112.54 170.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.29 -40.63 74.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.815 1.246 . . . . 0.0 112.547 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.97 -20.63 61.0 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.12 -58.33 4.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.907 1.231 . . . . 0.0 112.096 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.99 -26.99 73.27 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.179 -0.95 . . . . 0.0 113.388 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -70.29 -38.96 75.13 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.004 0.902 . . . . 0.0 111.078 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.04 -45.35 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.324 1.049 . . . . 0.0 110.529 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.6 mtp -57.06 -41.46 78.77 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.766 1.166 . . . . 0.0 112.136 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.58 -22.61 65.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.834 0.853 . . . . 0.0 113.028 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 t -67.89 -33.12 74.11 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.327 0.967 . . . . 0.0 111.866 169.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.14 2.64 17.38 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.559 1.144 . . . . 0.0 112.818 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.19 -1.15 86.11 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.587 1.565 . . . . 0.0 115.151 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -90.12 121.01 31.78 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.844 1.322 . . . . 0.0 110.629 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -101.06 96.15 5.46 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.572 0.749 . . . . 0.0 110.89 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.8 155.12 53.93 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.095 3.197 . . . . 0.0 113.114 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.53 149.28 38.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.452 1.101 . . . . 0.0 110.38 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -59.71 -34.47 72.94 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.636 -1.29 . . . . 0.0 112.837 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.31 88.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.064 0.946 . . . . 0.0 112.834 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.74 -46.64 78.1 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.744 -0.597 . . . . 0.0 110.866 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.36 -47.61 83.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.948 0.499 . . . . 0.0 111.431 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -60.85 -41.65 96.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.57 -42.33 91.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.57 0.748 . . . . 0.0 112.656 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.5 -42.65 87.08 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.373 -0.829 . . . . 0.0 111.852 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -68.21 -31.11 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 123.465 0.706 . . . . 0.0 111.762 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.7 -36.68 72.3 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.271 1.396 . . . . 0.0 112.335 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -85.86 -41.15 15.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.673 0.789 . . . . 0.0 112.702 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.15 -46.52 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.466 1.106 . . . . 0.0 112.801 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -104.38 45.31 0.97 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.518 1.527 . . . . 0.0 112.587 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.19 -23.8 64.28 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.02 -1.05 . . . . 0.0 113.527 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -83.79 -8.05 59.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.775 1.23 . . . . 0.0 114.084 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.21 35.1 69.95 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.653 1.12 . . . . 0.0 115.091 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -78.13 -18.49 55.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 113.555 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.81 15.37 81.36 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.145 1.355 . . . . 0.0 114.462 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.3 p -135.89 159.36 41.92 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.194 1.398 . . . . 0.0 113.756 -173.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.2 mt -137.94 137.85 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 127.242 2.217 . . . . 0.0 109.039 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.61 157.24 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.469 0.708 . . . . 0.0 111.577 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -42.38 -52.64 9.93 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.41 -28.79 26.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.956 1.771 . . . . 0.0 114.301 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -29.39 64.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.146 -0.971 . . . . 0.0 112.365 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -69.92 -47.26 63.15 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 0.0 111.212 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.06 -32.48 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.032 -1.043 . . . . 0.0 112.676 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -51.37 -47.23 62.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.412 1.485 . . . . 0.0 112.347 172.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.2 ptp -80.8 -34.07 34.32 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.61 0.641 . . . . 0.0 112.235 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -63.86 -33.11 74.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.391 0.541 . . . . 0.0 112.193 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 123.525 0.73 . . . . 0.0 111.318 169.442 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.5 -35.97 78.24 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.612 -0.68 . . . . 0.0 112.392 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.41 -45.86 85.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.876 0.87 . . . . 0.0 111.428 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -65.52 -45.83 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.674 1.19 . . . . 0.0 110.982 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -60.55 -39.83 89.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.758 1.163 . . . . 0.0 112.373 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -68.9 -45.52 70.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.752 0.705 . . . . 0.0 111.839 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.44 80.65 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.158 0.983 . . . . 0.0 112.833 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.36 -43.85 72.75 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.219 -0.926 . . . . 0.0 112.41 172.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -58.87 -26.69 64.48 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.69 -32.92 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.191 1.396 . . . . 0.0 112.328 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.499 ' CZ ' HG12 ' A' ' 108' ' ' VAL . 14.4 m-85 -92.99 -24.26 18.42 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.903 1.281 . . . . 0.0 113.96 176.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.0 t0 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.349 1.06 . . . . 0.0 110.252 175.432 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.35 0 N-CA-C 113.609 0.204 . . . . 0.0 113.609 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 162.33 38.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -132.65 140.84 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.584 1.954 . . . . 0.0 108.613 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -66.21 142.72 57.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.48 -1.387 . . . . 0.0 111.252 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.4 95.41 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.001 -1.062 . . . . 0.0 112.831 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.07 -28.56 68.93 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.473 0.709 . . . . 0.0 112.869 174.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.95 -49.53 36.67 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.875 0.87 . . . . 0.0 111.163 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.63 -40.49 95.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.012 0.824 . . . . 0.0 110.825 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -58.01 -40.73 81.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.26 1.024 . . . . 0.0 112.5 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -59.02 -59.14 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.584 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.499 HG12 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -59.31 -46.05 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.982 1.265 . . . . 0.0 111.202 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.5 mmt -66.88 -14.6 62.91 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.0 p -120.33 8.57 10.85 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -106.61 -45.28 4.27 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.206 1.402 . . . . 0.0 111.398 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.11 157.53 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 111.394 -167.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.02 -148.45 50.95 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 121.721 0.623 . . . . 0.0 113.878 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -71.44 -12.92 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.085 1.754 . . . . 0.0 114.739 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.2 129.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.004 2.521 . . . . 0.0 112.54 -166.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.59 150.96 26.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.279 0.632 . . . . 0.0 109.446 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.95 159.82 29.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.954 0.902 . . . . 0.0 110.717 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -49.83 -46.5 51.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.321 1.448 . . . . 0.0 114.055 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -79.99 -21.7 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 0.0 113.007 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.6 -41.13 21.97 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.809 1.643 . . . . 0.0 111.789 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.37 -34.69 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.706 -0.621 . . . . 0.0 111.136 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.21 -44.09 84.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.446 0.698 . . . . 0.0 111.255 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.36 -40.56 74.73 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.643 0.777 . . . . 0.0 111.617 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.36 -51.0 69.92 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.871 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.98 -34.31 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 120.53 1.514 . . . . 0.0 111.752 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -59.42 -28.7 67.17 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.625 1.102 . . . . 0.0 113.591 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.27 -22.54 8.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.637 1.575 . . . . 0.0 113.829 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.17 -34.24 61.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.907 2.083 . . . . 0.0 112.506 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.3 t0 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 125.134 1.374 . . . . 0.0 110.439 169.32 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.253 0 N-CA-C 113.823 0.289 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -129.45 104.22 7.35 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.709 1.604 . . . . 0.0 110.196 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.7 t -73.21 131.09 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.86 89.11 3.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 122.386 1.089 . . . . 0.0 111.652 170.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -62.36 -27.8 69.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.238 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.79 -27.84 69.17 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.387 0.994 . . . . 0.0 113.174 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -86.54 -37.91 17.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -61.91 -41.86 98.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.364 1.066 . . . . 0.0 112.804 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.6 p -60.15 -42.44 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.332 1.053 . . . . 0.0 112.084 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -64.96 -43.3 93.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 111.004 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.6 ttp -61.41 -45.56 93.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.622 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.8 mtm -66.97 -38.98 87.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.482 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 63.5 tp60 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -55.17 -49.27 72.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 0.0 111.987 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -71.07 -19.45 62.48 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.7 m -101.95 -32.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.637 1.175 . . . . 0.0 112.334 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.7 m -59.49 -39.66 84.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.564 1.146 . . . . 0.0 111.259 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.84 74.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.786 -0.572 . . . . 0.0 111.213 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.5 mt -61.29 -40.44 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.439 0.696 . . . . 0.0 111.442 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.93 -43.85 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.619 1.168 . . . . 0.0 111.153 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.44 -36.7 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.722 0.809 . . . . 0.0 110.509 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.07 -41.91 97.17 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 111.889 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -58.62 -50.54 73.46 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.559 0.744 . . . . 0.0 111.131 173.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.2 96.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.755 0.822 . . . . 0.0 112.439 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.21 -52.36 35.09 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -66.03 -26.8 67.68 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.491 -0.756 . . . . 0.0 112.648 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.34 -44.76 86.71 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.974 0.807 . . . . 0.0 111.1 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.69 -34.54 78.44 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 CA--C 1.544 0.72 0 CA-C-N 119.444 1.02 . . . . 0.0 113.054 176.823 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -73.03 -42.45 63.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.487 1.115 . . . . 0.0 112.193 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -67.41 -39.76 85.53 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.679 -0.638 . . . . 0.0 112.405 173.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.51 -44.92 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.195 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.93 89.03 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.422 1.01 . . . . 0.0 113.212 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.42 -46.65 79.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.201 -0.937 . . . . 0.0 111.997 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -68.52 -33.19 73.69 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.532 0.733 . . . . 0.0 112.757 175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.47 -48.37 71.87 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.271 1.428 . . . . 0.0 110.898 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.65 -55.55 22.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.592 0.757 . . . . 0.0 111.311 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.29 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -75.66 -52.12 11.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.108 0.867 . . . . 0.0 111.801 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.8 p -64.35 -20.55 66.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -28.23 27.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.981 1.712 . . . . 0.0 112.924 168.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -116.7 1.48 12.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.006 1.322 . . . . 0.0 113.636 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 t0 . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.989 0.9 . . . . 0.0 110.161 173.645 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 29.51 38.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.287 0.946 . . . . 0.0 113.587 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -139.86 159.83 41.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.4 1.48 . . . . 0.0 112.643 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 pt -133.2 172.03 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 126.646 1.978 . . . . 0.0 110.608 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -84.26 161.36 20.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.518 1.151 . . . . 0.0 112.823 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 p -61.6 -23.99 66.38 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.44 1.096 . . . . 0.0 113.033 169.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -84.01 -33.69 24.49 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.0 -23.32 63.12 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.827 170.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.97 -59.14 3.3 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.221 1.373 . . . . 0.0 112.128 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.62 69.08 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.256 -0.902 . . . . 0.0 113.275 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 m -76.05 -36.51 59.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.988 0.915 . . . . 0.0 111.791 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.83 -39.74 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.79 0.836 . . . . 0.0 110.467 169.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.0 mtp -63.92 -42.11 97.48 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.18 -0.95 . . . . 0.0 112.1 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.6 -36.48 78.67 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 121.279 -0.888 . . . . 0.0 112.582 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -63.34 -36.26 83.12 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.872 0.869 . . . . 0.0 112.073 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -81.17 25.72 0.47 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.207 1.803 . . . . 0.0 113.531 169.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.54 15.56 77.51 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 168.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -141.48 128.63 20.91 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.296 1.548 . . . . 0.0 112.409 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -103.52 94.33 5.89 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.128 0.971 . . . . 0.0 111.506 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.7 156.33 66.43 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.677 2.918 . . . . 0.0 112.244 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -76.46 159.71 30.17 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.66 -0.65 . . . . 0.0 111.659 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -38.89 82.77 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.297 -0.877 . . . . 0.0 111.986 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.0 83.68 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.882 0.873 . . . . 0.0 112.334 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.4 -42.12 88.33 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.456 -0.778 . . . . 0.0 111.91 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.82 -47.75 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.653 -0.655 . . . . 0.0 111.226 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.53 -41.37 89.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.541 0.609 . . . . 0.0 112.168 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.38 -39.43 93.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.941 0.896 . . . . 0.0 113.068 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -70.91 -42.28 70.11 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.977 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -68.01 -28.75 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.26 1.024 . . . . 0.0 111.883 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -58.96 -33.17 70.34 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.078 1.308 . . . . 0.0 112.987 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -85.45 -46.78 10.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.412 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -68.18 -40.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 0.0 113.409 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -115.18 48.07 1.22 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.173 1.789 . . . . 0.0 111.837 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.77 62.75 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.085 -1.009 . . . . 0.0 113.229 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -78.17 -13.81 59.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.054 1.341 . . . . 0.0 114.045 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.56 29.62 69.58 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.817 1.199 . . . . 0.0 115.35 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -77.93 -16.93 57.8 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 118.725 1.262 . . . . 0.0 113.802 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.06 18.41 74.75 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.563 1.554 . . . . 0.0 114.514 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -137.35 160.17 39.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.887 1.275 . . . . 0.0 114.055 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.3 mt -142.53 136.15 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.879 2.072 . . . . 0.0 109.208 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.63 157.35 18.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.345 0.658 . . . . 0.0 111.529 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.45 -55.65 11.49 Favored Pre-proline 0 CA--C 1.547 0.852 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.81 -24.08 25.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.971 1.781 . . . . 0.0 113.624 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.11 -34.11 65.97 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.475 -0.766 . . . . 0.0 111.618 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.08 -40.41 90.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.523 -0.735 . . . . 0.0 112.417 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.42 -23.02 65.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -58.63 -37.73 76.53 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.891 0.769 . . . . 0.0 112.83 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.85 -31.97 25.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.13 0.572 . . . . 0.0 112.106 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -63.97 -34.99 79.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.124 0.569 . . . . 0.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 124.096 0.958 . . . . 0.0 112.997 171.675 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -39.28 92.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.806 0.842 . . . . 0.0 111.279 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -47.34 59.4 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.656 1.182 . . . . 0.0 111.728 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.64 -44.9 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.093 0.957 . . . . 0.0 110.604 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -63.79 -42.41 97.75 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.0 0.818 . . . . 0.0 111.985 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.96 -44.05 90.64 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.5 0.591 . . . . 0.0 111.996 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.59 83.5 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.4 1.08 . . . . 0.0 112.778 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.65 -43.54 76.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.124 -0.985 . . . . 0.0 112.077 172.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.81 -26.81 67.58 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.487 -0.758 . . . . 0.0 112.981 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.49 -31.3 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.046 0.938 . . . . 0.0 112.541 169.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.409 ' CE2' HG23 ' A' ' 108' ' ' VAL . 12.8 m-85 -92.16 -24.64 19.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.498 1.119 . . . . 0.0 113.83 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.2 t0 . . . . . 0 N--CA 1.475 0.8 0 CA-C-N 119.362 0.983 . . . . 0.0 109.702 176.334 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 CA-C-O 120.965 0.203 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 162.0 40.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.463 1.105 . . . . 0.0 112.524 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.03 143.19 40.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 127.219 2.208 . . . . 0.0 107.936 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 150.95 43.48 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.884 -1.76 . . . . 0.0 112.568 175.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.913 -1.117 . . . . 0.0 112.345 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.28 -33.07 73.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.237 0.615 . . . . 0.0 111.905 173.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.97 -44.62 69.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.054 1.342 . . . . 0.0 112.796 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.01 -40.68 71.67 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.944 0.793 . . . . 0.0 110.861 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -59.01 -39.92 83.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.986 0.812 . . . . 0.0 112.002 173.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -57.32 -62.79 1.52 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 118.515 0.598 . . . . 0.0 110.672 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.409 HG23 ' CE2' ' A' ' 92' ' ' PHE . 14.8 p -64.83 -36.37 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.03 0.832 . . . . 0.0 112.834 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -69.44 -12.16 61.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 p -121.28 3.2 10.34 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.669 1.188 . . . . 0.0 113.832 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -109.09 -39.52 5.25 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.389 1.875 . . . . 0.0 112.494 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.7 mt -125.42 141.04 52.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.508 1.123 . . . . 0.0 111.248 -169.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.26 -146.88 30.94 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.14 -11.91 61.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.566 1.546 . . . . 0.0 114.92 -171.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.88 99.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.087 2.555 . . . . 0.0 114.435 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.45 150.85 38.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.772 1.229 . . . . 0.0 112.35 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 160.3 30.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.729 0.812 . . . . 0.0 110.161 169.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.33 -39.31 86.61 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.103 -0.998 . . . . 0.0 113.363 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -71.86 -33.5 68.46 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.943 -1.098 . . . . 0.0 112.439 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -40.77 66.04 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.962 1.305 . . . . 0.0 111.703 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.79 -33.65 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.434 -0.791 . . . . 0.0 111.582 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.61 -37.87 83.12 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.164 -0.96 . . . . 0.0 111.838 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -59.3 -38.79 81.12 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.313 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.1 ttm -59.93 -53.62 55.78 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.872 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.2 mm -58.51 -37.46 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 120.931 1.696 . . . . 0.0 111.585 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.0 ttp85 -57.26 -26.8 61.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.095 1.358 . . . . 0.0 114.2 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.79 -20.93 8.04 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.38 -33.69 61.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.027 2.131 . . . . 0.0 112.447 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 124.884 1.274 . . . . 0.0 109.885 168.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.265 0 N-CA-C 114.604 0.602 . . . . 0.0 114.604 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.99 104.28 7.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.107 1.363 . . . . 0.0 110.779 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.8 t -72.88 128.46 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.112 0.565 . . . . 0.0 110.071 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -98.52 94.85 6.92 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.375 -0.828 . . . . 0.0 109.321 167.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -59.75 -29.12 67.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.824 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.63 -38.06 80.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.07 1.304 . . . . 0.0 112.672 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -74.65 -38.54 62.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.542 0.737 . . . . 0.0 111.309 170.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.04 -42.52 94.25 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.48 1.112 . . . . 0.0 113.38 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.2 -47.53 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 119.471 1.032 . . . . 0.0 109.355 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -66.94 -36.16 81.61 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.87 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.3 ttp -67.26 -48.16 68.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.002 1.321 . . . . 0.0 112.709 171.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.8 mtm -61.54 -42.61 99.08 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.129 0.877 . . . . 0.0 111.761 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.478 0.948 0 C-N-CA 125.494 1.518 . . . . 0.0 114.542 -179.216 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.8 tp60 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -55.51 -46.05 77.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.041 1.337 . . . . 0.0 112.069 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -66.63 -24.77 66.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 6.1 m -99.87 -31.66 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.274 1.03 . . . . 0.0 112.118 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.5 m -56.79 -40.58 76.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.774 1.23 . . . . 0.0 111.117 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.0 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.359 0.663 . . . . 0.0 110.839 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.99 -38.16 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.301 -0.874 . . . . 0.0 111.849 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.62 -43.45 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.92 1.288 . . . . 0.0 111.023 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.49 -41.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -55.1 -49.58 71.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.121 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -60.46 -52.79 63.7 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.149 1.38 . . . . 0.0 111.834 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.1 69.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.2 t80 -69.95 -49.51 51.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -66.99 -29.34 69.16 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.182 1.355 . . . . 0.0 111.202 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -60.21 -43.11 96.25 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.469 -0.769 . . . . 0.0 110.857 168.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 91.7 t80 -66.01 -39.48 90.29 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.546 0.801 0 O-C-N 121.325 -0.859 . . . . 0.0 111.593 171.827 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -69.73 -43.3 72.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.284 1.034 . . . . 0.0 112.505 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.52 -45.32 91.17 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.448 0.699 . . . . 0.0 111.143 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -45.05 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.999 0.919 . . . . 0.0 110.474 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.9 -36.29 83.89 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.883 0.765 . . . . 0.0 113.037 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.33 -45.79 79.03 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.251 -0.906 . . . . 0.0 111.902 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -65.38 -34.28 77.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.468 0.707 . . . . 0.0 112.669 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -54.32 -50.94 66.21 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.572 1.549 . . . . 0.0 111.641 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.54 -50.14 64.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.663 0.785 . . . . 0.0 111.666 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.0 74.22 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -74.66 -49.22 22.21 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.013 0.824 . . . . 0.0 112.258 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -60.11 -24.45 64.66 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.315 1.046 . . . . 0.0 112.7 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.13 -21.0 7.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.923 1.689 . . . . 0.0 114.593 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -129.77 7.44 5.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.553 1.541 . . . . 0.0 113.108 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 C--O 1.237 0.439 0 CA-C-O 122.808 1.29 . . . . 0.0 111.359 177.708 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.88 32.56 9.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.394 0.997 . . . . 0.0 114.915 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.0 p -139.75 152.97 47.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.038 1.419 . . . . 0.0 113.651 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.05 171.25 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 126.822 2.049 . . . . 0.0 110.656 173.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.1 p -84.54 155.55 22.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 122.224 1.012 . . . . 0.0 112.459 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -62.94 -25.65 68.44 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.921 0.888 . . . . 0.0 112.401 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -75.41 -38.0 60.1 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.47 -12.83 59.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -43.53 -57.51 3.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.819 1.248 . . . . 0.0 111.527 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.22 -21.9 74.18 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.665 -0.519 . . . . 0.0 114.204 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.01 -41.33 71.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.464 1.132 . . . . 0.0 110.193 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.298 1.4 m -71.35 -35.78 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.457 -0.783 . . . . 0.0 112.296 175.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.12 -38.24 70.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.177 1.353 . . . . 0.0 112.784 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -67.86 -23.02 65.09 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -69.53 -30.43 68.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.985 0.811 . . . . 0.0 112.087 169.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.17 2.76 38.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.778 1.231 . . . . 0.0 112.918 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.42 1.01 90.29 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.272 1.415 . . . . 0.0 115.845 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -91.62 125.46 36.36 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.482 1.641 . . . . 0.0 110.577 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.59 91.36 4.04 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.586 1.154 . . . . 0.0 108.783 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.25 151.8 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.899 3.066 . . . . 0.0 112.449 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -79.77 164.64 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.51 -35.56 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.927 -1.108 . . . . 0.0 112.049 172.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.17 82.98 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.953 0.901 . . . . 0.0 112.359 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.92 -47.17 86.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.436 0.694 . . . . 0.0 110.914 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.82 -49.29 78.08 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.682 -0.636 . . . . 0.0 112.46 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.88 -39.64 95.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.289 0.95 . . . . 0.0 112.02 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.94 -41.6 97.58 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.515 0.726 . . . . 0.0 112.302 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.6 mtm -68.27 -43.02 78.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.509 -0.744 . . . . 0.0 112.142 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.414 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 56.7 mt -66.36 -26.6 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 118.881 0.764 . . . . 0.0 111.954 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.19 -25.2 58.62 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.732 -1.23 . . . . 0.0 112.796 173.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -82.25 -17.21 46.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 13.0 m -121.17 -22.67 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -169.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.52 46.27 1.7 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.334 0.97 . . . . 0.0 113.362 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.47 -24.98 64.04 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.148 -0.97 . . . . 0.0 113.405 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -83.08 -8.08 59.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.946 1.298 . . . . 0.0 114.369 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.65 39.34 56.04 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -75.86 -23.08 55.64 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.932 1.293 . . . . 0.0 112.739 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.71 18.99 79.03 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 126.879 2.18 . . . . 0.0 115.088 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -135.4 157.88 45.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.127 1.371 . . . . 0.0 113.518 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 mt -139.8 137.62 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 127.011 2.124 . . . . 0.0 108.611 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.57 159.22 18.67 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.683 0.674 . . . . 0.0 111.722 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -48.73 -56.22 16.06 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.36 -21.33 30.86 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.945 1.764 . . . . 0.0 113.102 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -41.16 68.47 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.435 0.561 . . . . 0.0 111.307 173.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -60.35 -39.99 89.13 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.15 -0.969 . . . . 0.0 112.18 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.34 -22.54 65.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -38.62 87.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.728 . . . . 0.0 112.645 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.88 -32.23 25.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.721 -0.612 . . . . 0.0 111.915 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mmm -64.77 -36.93 85.89 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.697 -0.627 . . . . 0.0 112.465 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 123.145 0.578 . . . . 0.0 112.103 171.037 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.43 -42.45 98.7 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.678 0.791 . . . . 0.0 111.687 171.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.72 -47.85 61.62 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.6 0.76 . . . . 0.0 111.948 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.79 -46.21 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.954 0.902 . . . . 0.0 110.245 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.47 -42.5 98.88 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.864 0.866 . . . . 0.0 112.507 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -72.51 -39.5 67.57 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.881 0.764 . . . . 0.0 112.712 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.23 79.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.345 1.058 . . . . 0.0 112.421 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.96 -43.89 81.95 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.092 -1.005 . . . . 0.0 112.135 170.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -60.28 -26.27 66.36 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.25 -31.12 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.129 1.372 . . . . 0.0 112.734 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' CE2' HG21 ' A' ' 108' ' ' VAL . 14.0 m-85 -91.86 -21.76 20.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.671 1.188 . . . . 0.0 113.922 175.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 124.114 0.966 . . . . 0.0 110.204 176.714 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 N-CA-C 113.69 0.236 . . . . 0.0 113.69 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.4 164.21 34.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.104 1.362 . . . . 0.0 111.665 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.8 mt -131.11 137.67 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.305 1.842 . . . . 0.0 108.837 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 m -64.57 141.86 58.62 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.266 -1.521 . . . . 0.0 111.685 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.96 87.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.329 -0.857 . . . . 0.0 112.598 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.12 72.2 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -75.47 -42.22 53.61 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.923 0.889 . . . . 0.0 112.145 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.4 -40.08 81.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.024 0.829 . . . . 0.0 110.776 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -61.03 -40.53 93.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.47 0.708 . . . . 0.0 111.8 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -56.27 -62.78 1.48 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.535 0.734 . . . . 0.0 110.448 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.404 HG21 ' CE2' ' A' ' 92' ' ' PHE . 14.4 p -64.66 -36.31 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 119.067 0.849 . . . . 0.0 113.101 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -68.47 -15.06 63.41 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -118.38 -1.69 11.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.704 1.202 . . . . 0.0 114.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -103.56 -37.77 7.42 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.896 1.678 . . . . 0.0 112.595 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.3 mt -123.87 159.57 29.36 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.24 1.416 . . . . 0.0 110.666 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.14 -143.64 39.82 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.935 -0.575 . . . . 0.0 114.031 -170.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.13 -10.26 59.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.568 1.147 . . . . 0.0 113.547 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 60.08 103.18 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.14 2.576 . . . . 0.0 113.057 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.4 153.14 43.55 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.755 0.822 . . . . 0.0 111.82 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 160.66 28.16 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 121.636 -0.665 . . . . 0.0 110.407 169.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.77 -48.18 70.01 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -71.31 -29.79 65.46 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.917 -1.114 . . . . 0.0 112.467 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.84 -42.38 73.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.688 1.195 . . . . 0.0 111.537 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.61 -33.42 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.926 0.891 . . . . 0.0 111.981 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -63.95 -37.67 88.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.77 -1.206 . . . . 0.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -63.0 -25.02 68.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.813 0.845 . . . . 0.0 112.375 171.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.29 -53.56 13.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.097 0.862 . . . . 0.0 109.732 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.1 mm -58.05 -34.58 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.862 0.756 . . . . 0.0 111.284 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -48.84 -46.2 41.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.256 1.422 . . . . 0.0 113.03 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -43.62 12.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.43 0.634 . . . . 0.0 111.976 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.68 -35.6 72.89 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.445 1.898 . . . . 0.0 113.822 -168.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.475 0.816 0 C-N-CA 125.556 1.542 . . . . 0.0 111.888 174.08 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.213 0 N-CA-C 113.579 0.191 . . . . 0.0 113.579 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -126.44 90.42 3.17 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.804 1.642 . . . . 0.0 108.993 -175.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.06 121.06 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 121.851 -0.531 . . . . 0.0 109.719 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -95.02 88.03 5.11 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.885 0.85 . . . . 0.0 109.928 172.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -59.13 -32.78 70.16 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.505 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -60.05 -41.04 91.48 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.261 1.391 . . . . 0.0 112.178 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -78.82 -30.88 45.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.953 0.901 . . . . 0.0 112.482 171.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.52 -38.94 91.91 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.474 -0.766 . . . . 0.0 112.543 174.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.38 -49.49 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.166 0.894 . . . . 0.0 109.635 172.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -64.7 -34.17 77.68 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.902 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.78 -48.34 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.401 1.48 . . . . 0.0 113.132 172.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.18 -37.99 87.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.588 1.086 . . . . 0.0 112.027 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 125.382 1.473 . . . . 0.0 114.709 178.779 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.16 -46.2 79.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.144 1.377 . . . . 0.0 112.089 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.87 -24.39 66.12 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.4 m -101.11 -30.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.752 1.221 . . . . 0.0 112.487 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 69.6 m -55.86 -39.92 72.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.493 1.117 . . . . 0.0 110.66 169.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.63 88.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.539 0.736 . . . . 0.0 110.255 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.04 -38.16 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.239 -0.913 . . . . 0.0 112.39 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.8 mt -58.78 -44.03 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.244 1.017 . . . . 0.0 110.669 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -70.76 -39.47 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.168 0.987 . . . . 0.0 110.896 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.38 -43.07 99.51 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.55 1.068 . . . . 0.0 111.588 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -60.46 -49.19 78.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.102 0.961 . . . . 0.0 111.323 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.9 75.06 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.37 0.668 . . . . 0.0 112.699 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.05 -52.11 31.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -29.26 69.47 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.766 1.167 . . . . 0.0 111.67 175.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -62.68 -40.19 96.32 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.335 0.97 . . . . 0.0 111.83 169.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 60.3 t80 -70.42 -33.85 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.762 1.225 . . . . 0.0 113.227 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.542 0.66 0 O-C-N 121.259 -0.901 . . . . 0.0 112.335 173.661 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.19 -42.42 65.87 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.022 0.929 . . . . 0.0 112.192 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -65.64 -38.73 90.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.546 -0.721 . . . . 0.0 112.024 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.2 mt -66.2 -39.62 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.812 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.59 88.37 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.649 1.113 . . . . 0.0 112.815 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.84 -47.22 81.64 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.228 -0.92 . . . . 0.0 111.684 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -67.29 -34.57 77.68 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.638 0.775 . . . . 0.0 111.786 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.07 -53.57 51.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.647 1.579 . . . . 0.0 110.491 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.44 -52.25 59.0 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.51 71.57 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -74.13 -50.89 17.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.693 0.797 . . . . 0.0 111.721 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -25.24 66.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.747 1.219 . . . . 0.0 112.635 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.59 -23.05 15.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.644 1.578 . . . . 0.0 114.018 171.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -117.92 0.26 11.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.855 1.662 . . . . 0.0 113.252 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 t0 . . . . . 0 CA--C 1.543 0.711 0 O-C-N 121.325 -0.86 . . . . 0.0 110.411 172.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 33.32 20.44 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.562 1.077 . . . . 0.0 113.814 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -139.97 159.37 42.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.589 1.156 . . . . 0.0 113.579 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 pt -137.23 170.81 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 127.261 2.224 . . . . 0.0 110.954 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -83.0 159.57 22.18 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.169 0.985 . . . . 0.0 112.768 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.5 p -61.0 -25.47 66.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.411 1.085 . . . . 0.0 112.748 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.29 -42.58 65.35 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.679 1.192 . . . . 0.0 112.455 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.36 -16.74 61.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.69 1.196 . . . . 0.0 113.881 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -57.69 6.48 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.394 1.078 . . . . 0.0 111.391 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -26.5 70.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.497 -0.752 . . . . 0.0 113.238 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 m -74.53 -36.8 63.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.287 1.043 . . . . 0.0 111.874 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.27 -39.75 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 123.467 0.707 . . . . 0.0 110.239 169.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.7 mtp -65.38 -39.21 91.98 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.867 -1.146 . . . . 0.0 112.618 172.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -61.57 -35.94 79.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.228 0.922 . . . . 0.0 112.325 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -63.41 -36.39 83.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.52 0.728 . . . . 0.0 111.964 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.24 27.84 0.47 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.149 1.779 . . . . 0.0 113.88 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.56 15.63 73.31 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 117.362 1.705 . . . . 0.0 117.362 168.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -140.16 132.86 28.93 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.572 1.686 . . . . 0.0 112.432 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -112.23 86.23 7.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.565 1.146 . . . . 0.0 111.784 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.62 154.61 72.96 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.775 2.983 . . . . 0.0 112.565 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -74.88 163.09 28.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.873 0.869 . . . . 0.0 111.755 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.32 -35.98 76.86 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.127 -0.983 . . . . 0.0 112.189 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.23 74.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.874 0.87 . . . . 0.0 112.252 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.25 -41.12 97.12 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 0.0 111.553 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.4 mt -61.6 -47.59 84.77 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.292 0.637 . . . . 0.0 111.707 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.54 -40.88 88.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.128 0.877 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.57 -37.62 88.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.063 0.945 . . . . 0.0 112.989 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.8 mtm -73.87 -40.0 63.53 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.9 0.773 . . . . 0.0 112.54 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.6 mt -65.25 -28.83 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -57.79 -30.37 65.62 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.9 1.227 . . . . 0.0 113.599 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.88 -17.92 49.02 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 174.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.62 -42.5 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.102 1.761 . . . . 0.0 113.049 -169.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -122.37 48.67 1.71 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.148 1.779 . . . . 0.0 112.222 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.36 -24.1 64.81 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.214 -0.929 . . . . 0.0 113.161 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.83 -13.67 59.82 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.986 1.314 . . . . 0.0 113.937 174.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.04 30.95 69.55 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.675 1.131 . . . . 0.0 115.05 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -76.65 -17.98 58.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.608 1.204 . . . . 0.0 113.536 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.58 18.39 73.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.579 1.561 . . . . 0.0 114.556 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.8 p -134.14 160.06 38.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.991 1.317 . . . . 0.0 113.904 -174.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.8 mt -141.93 136.4 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.072 2.149 . . . . 0.0 109.192 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.73 157.1 17.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.52 0.728 . . . . 0.0 111.409 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -45.1 -55.86 10.36 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.84 -23.32 26.01 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.711 1.607 . . . . 0.0 113.573 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.0 -30.02 61.04 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.557 -0.715 . . . . 0.0 111.916 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -67.32 -41.75 84.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.856 0.862 . . . . 0.0 112.408 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.67 -21.1 65.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -59.76 -38.03 80.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.707 0.685 . . . . 0.0 112.65 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -83.7 -29.65 27.38 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.437 -0.789 . . . . 0.0 112.536 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mmm -61.12 -38.39 86.19 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.138 0.575 . . . . 0.0 110.969 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 173.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -75.88 -29.31 58.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.321 -0.862 . . . . 0.0 112.377 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -67.91 -44.49 76.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.665 -0.647 . . . . 0.0 111.492 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -58.29 -47.08 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.867 0.867 . . . . 0.0 110.165 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -55.97 -49.06 74.61 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -69.0 -38.95 79.57 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.152 0.887 . . . . 0.0 112.275 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.6 1.16 . . . . 0.0 113.532 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.1 -42.85 36.42 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.236 -0.915 . . . . 0.0 110.989 168.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -61.15 -28.88 69.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.478 1.111 . . . . 0.0 113.753 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.5 -19.93 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 170.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -96.66 -16.16 21.11 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.212 1.405 . . . . 0.0 113.592 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 125.225 1.41 . . . . 0.0 111.497 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.471 0 N-CA-C 114.096 0.398 . . . . 0.0 114.096 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 166.31 31.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.921 1.288 . . . . 0.0 111.485 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.67 136.46 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.623 1.569 . . . . 0.0 109.396 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m -66.65 142.94 57.27 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.646 -1.284 . . . . 0.0 111.912 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.92 90.09 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.245 -0.909 . . . . 0.0 112.802 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.38 72.02 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -73.04 -44.29 60.95 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.76 0.824 . . . . 0.0 111.776 176.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.4 tp -69.07 -37.52 78.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.829 0.741 . . . . 0.0 111.324 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -61.65 -38.51 87.98 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.889 -1.132 . . . . 0.0 111.722 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -60.9 -61.11 2.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.352 171.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 m -58.19 -39.4 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.983 1.719 . . . . 0.0 112.732 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -75.29 -13.85 60.46 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.9 p -119.9 -4.05 10.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.063 1.345 . . . . 0.0 114.219 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.43 -23.63 15.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 113.083 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mt -131.94 169.38 16.38 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.565 1.546 . . . . 0.0 111.018 -169.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.25 -139.44 40.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 121.885 0.714 . . . . 0.0 114.322 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -78.14 -7.14 56.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.195 1.398 . . . . 0.0 112.8 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt 53.91 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.936 2.894 . . . . 0.0 113.311 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.62 152.7 29.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.323 1.049 . . . . 0.0 112.727 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -69.01 161.08 29.74 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.405 1.082 . . . . 0.0 111.03 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -56.29 -48.79 75.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.018 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.81 -32.02 68.97 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.271 -0.893 . . . . 0.0 112.469 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.13 -43.92 73.4 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.404 1.482 . . . . 0.0 111.931 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -73.87 -32.66 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 123.503 0.721 . . . . 0.0 111.874 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.13 -36.39 74.75 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.878 -1.139 . . . . 0.0 111.622 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.82 -30.33 65.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.877 0.871 . . . . 0.0 112.114 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -66.41 -56.39 11.27 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.931 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.3 mm -57.02 -37.94 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.782 1.174 . . . . 0.0 112.136 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -55.75 -23.75 31.24 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.395 1.478 . . . . 0.0 114.551 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -123.2 -27.09 4.21 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.912 1.285 . . . . 0.0 114.088 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -33.7 75.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.519 1.928 . . . . 0.0 112.062 172.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.596 1.158 . . . . 0.0 109.578 167.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 CA-C-O 119.934 -0.37 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -129.33 97.65 4.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 t -66.08 129.26 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.67 -0.643 . . . . 0.0 109.606 169.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.86 92.09 4.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.104 0.954 . . . . 0.0 110.32 171.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -62.68 -24.09 67.46 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.395 -172.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.3 -33.97 77.05 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.466 1.03 . . . . 0.0 113.381 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.68 -39.73 43.91 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.44 -0.788 . . . . 0.0 110.806 169.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.88 -44.62 80.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.72 0.808 . . . . 0.0 113.067 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.33 -41.75 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.199 0.999 . . . . 0.0 111.702 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.02 -45.02 90.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.375 1.07 . . . . 0.0 112.428 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.6 ttp -64.69 -45.41 86.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.561 0.745 . . . . 0.0 112.378 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.8 ttp -66.53 -39.34 88.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.452 1.501 . . . . 0.0 111.924 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 81.8 p . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.276 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.3 tp60 . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.31 -47.93 77.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.45 1.5 . . . . 0.0 111.81 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.23 -29.35 70.45 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.7 m -93.31 -32.56 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 61.2 m -59.3 -41.03 88.01 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.728 1.211 . . . . 0.0 111.028 172.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -54.92 -44.63 74.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.76 -0.588 . . . . 0.0 110.942 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -60.77 -36.09 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.887 0.875 . . . . 0.0 112.134 -172.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.5 mt -58.71 -42.01 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 111.032 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.81 -40.13 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.396 1.078 . . . . 0.0 110.581 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.87 -42.33 99.72 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.293 1.406 . . . . 0.0 112.281 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -56.4 -55.64 31.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.692 1.197 . . . . 0.0 110.734 172.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.89 78.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.898 0.879 . . . . 0.0 112.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.85 -50.81 63.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.28 0.632 . . . . 0.0 111.934 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -63.26 -34.17 77.08 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.592 -0.692 . . . . 0.0 112.153 173.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -56.28 -45.91 79.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.046 0.938 . . . . 0.0 110.495 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -66.48 -40.87 89.54 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.782 0.833 . . . . 0.0 112.778 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 112.414 175.592 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.47 -43.79 76.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.12 0.968 . . . . 0.0 112.225 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -62.23 -44.64 96.12 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.332 0.653 . . . . 0.0 111.218 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.18 -44.36 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 110.64 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.8 81.71 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.687 0.795 . . . . 0.0 113.092 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -66.15 -46.59 76.95 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.262 -0.899 . . . . 0.0 112.004 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.5 -33.38 75.8 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.63 0.772 . . . . 0.0 112.316 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -52.91 -51.41 61.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.746 1.618 . . . . 0.0 110.997 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.44 -50.82 57.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 0.0 111.643 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.79 70.99 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.14 -50.99 16.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.153 0.981 . . . . 0.0 111.541 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -59.79 -26.38 65.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.559 1.143 . . . . 0.0 112.686 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.97 -22.14 14.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.699 1.6 . . . . 0.0 114.108 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -121.1 4.58 10.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.905 1.682 . . . . 0.0 113.179 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 CA--C 1.541 0.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.308 173.36 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.28 32.25 26.05 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.579 1.085 . . . . 0.0 113.679 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -138.75 159.09 42.95 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.206 1.402 . . . . 0.0 112.613 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -131.64 169.82 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.534 1.934 . . . . 0.0 110.39 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.8 p -82.35 157.88 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 112.049 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 p -60.7 -27.51 67.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.945 0.898 . . . . 0.0 112.53 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.47 -43.41 77.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.53 1.132 . . . . 0.0 112.663 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -80.8 -6.64 58.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -55.69 17.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.772 1.169 . . . . 0.0 111.112 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.27 72.98 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.23 -0.919 . . . . 0.0 113.204 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -67.38 -41.64 84.7 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.329 1.065 . . . . 0.0 111.488 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.31 -40.91 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 110.874 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.1 mtp -64.1 -37.55 87.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.936 -1.103 . . . . 0.0 112.649 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -67.2 -34.08 76.75 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.234 1.014 . . . . 0.0 113.162 173.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 t -62.89 -35.86 81.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.356 0.663 . . . . 0.0 111.769 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.73 20.99 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.904 1.681 . . . . 0.0 114.257 170.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.49 2.21 63.09 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.045 1.307 . . . . 0.0 116.131 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.54 179.53 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.539 1.169 . . . . 0.0 110.447 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -159.76 77.05 2.89 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.087 -1.008 . . . . 0.0 110.045 166.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -68.22 154.99 70.99 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.122 3.214 . . . . 0.0 112.522 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.5 p -77.74 161.74 27.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.908 0.883 . . . . 0.0 111.956 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -57.35 -42.47 82.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.293 -0.879 . . . . 0.0 111.477 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.97 99.52 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.13 0.572 . . . . 0.0 112.298 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.5 -45.2 72.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.277 0.631 . . . . 0.0 112.212 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.65 -46.82 86.32 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.291 0.636 . . . . 0.0 111.467 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.13 -37.85 88.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.896 0.878 . . . . 0.0 112.177 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.55 -40.34 89.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.503 -0.748 . . . . 0.0 112.746 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.1 mtm -68.2 -41.79 80.83 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.21 -0.931 . . . . 0.0 111.925 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.98 -29.73 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.085 0.954 . . . . 0.0 111.836 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.0 -31.13 69.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.048 1.295 . . . . 0.0 112.817 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -85.1 -47.8 9.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.603 171.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -67.94 -39.67 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.643 1.177 . . . . 0.0 113.577 -175.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -116.27 45.17 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.166 1.786 . . . . 0.0 112.283 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -26.13 63.53 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -85.79 -5.46 59.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.914 1.285 . . . . 0.0 114.337 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.09 40.3 56.76 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.497 1.046 . . . . 0.0 115.3 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -76.44 -22.98 53.95 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.113 1.365 . . . . 0.0 113.215 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 16.92 78.11 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.743 1.64 . . . . 0.0 114.445 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.3 p -138.1 159.46 41.98 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.321 1.448 . . . . 0.0 113.596 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.8 mt -139.86 136.02 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 127.133 2.173 . . . . 0.0 108.78 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.03 156.77 18.65 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.784 0.72 . . . . 0.0 111.374 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.47 -54.05 20.72 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.53 -23.28 27.47 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.808 1.672 . . . . 0.0 113.46 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.43 -37.15 63.4 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.51 -0.744 . . . . 0.0 111.478 174.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.25 -41.49 98.49 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.489 -0.757 . . . . 0.0 111.99 171.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.71 -19.13 64.7 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -36.54 79.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.556 1.071 . . . . 0.0 112.755 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.83 -34.51 24.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.736 -0.602 . . . . 0.0 112.202 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.56 -36.71 83.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.961 0.504 . . . . 0.0 111.115 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 123.635 0.774 . . . . 0.0 112.647 174.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.36 -33.95 75.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.469 0.708 . . . . 0.0 112.198 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -68.11 -44.26 76.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.53 -0.731 . . . . 0.0 111.294 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.31 -47.28 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.842 0.857 . . . . 0.0 110.275 174.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -56.87 -47.85 79.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.272 0.629 . . . . 0.0 112.574 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -70.81 -38.66 73.33 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.186 0.903 . . . . 0.0 112.547 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.51 68.58 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.856 1.262 . . . . 0.0 113.13 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.15 -42.56 31.36 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.161 -0.962 . . . . 0.0 111.39 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -61.78 -28.48 69.48 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.316 -0.865 . . . . 0.0 113.208 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.57 -23.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -92.35 -23.07 19.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.174 1.39 . . . . 0.0 113.317 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 . . . . . 0 CA--C 1.55 0.947 0 C-N-CA 124.992 1.317 . . . . 0.0 109.484 169.378 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.508 0 N-CA-C 114.303 0.481 . . . . 0.0 114.303 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -155.4 166.01 34.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.553 1.941 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -121.48 150.81 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.264 1.425 . . . . 0.0 108.904 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -77.42 142.79 39.05 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.377 -1.452 . . . . 0.0 111.122 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.38 79.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.974 -1.079 . . . . 0.0 112.804 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.5 72.36 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -73.76 -44.65 55.53 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.643 0.777 . . . . 0.0 111.814 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.51 -36.75 76.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.493 1.042 . . . . 0.0 111.096 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -62.71 -37.23 85.7 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.75 1.159 . . . . 0.0 111.898 169.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -60.63 -63.91 1.14 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.007 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.8 m -57.78 -38.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 121.265 1.848 . . . . 0.0 113.119 -174.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -76.07 -12.73 60.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 p -124.79 -6.58 7.38 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.689 1.195 . . . . 0.0 114.09 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -92.7 -24.64 18.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 112.777 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 mt -133.68 164.71 26.61 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.481 1.912 . . . . 0.0 109.917 -169.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.64 -153.75 51.07 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 173.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -78.97 51.19 1.1 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.531 1.932 . . . . 0.0 111.483 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -13.53 111.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.083 3.753 . . . . 0.0 114.81 -169.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.41 146.46 39.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.6 m -66.88 158.56 30.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.472 0.709 . . . . 0.0 110.087 171.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -52.48 -45.34 66.11 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.583 1.153 . . . . 0.0 113.556 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.09 -28.88 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.496 -0.753 . . . . 0.0 112.735 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.69 -43.8 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.604 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.43 -34.76 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 123.081 0.552 . . . . 0.0 111.194 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.16 -39.22 92.66 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.413 -0.805 . . . . 0.0 112.456 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -57.64 -44.44 85.62 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.941 0.896 . . . . 0.0 110.571 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.0 ttm -59.33 -47.01 87.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.152 0.981 . . . . 0.0 111.766 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.71 -47.43 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.606 1.094 . . . . 0.0 110.308 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -58.76 -26.65 64.2 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -107.71 -19.52 13.51 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.93 -28.85 21.25 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 125.55 1.54 . . . . 0.0 111.337 176.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 N-CA-C 114.374 0.51 . . . . 0.0 114.374 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -123.09 89.29 3.08 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.347 1.459 . . . . 0.0 109.506 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.06 107.92 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 124.322 1.049 . . . . 0.0 111.192 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -83.28 93.15 7.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.838 0.828 . . . . 0.0 110.395 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -64.84 -26.77 68.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.939 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.71 -34.49 73.96 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.738 1.154 . . . . 0.0 112.7 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -75.35 -39.71 58.99 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.276 -0.89 . . . . 0.0 110.596 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.51 -40.83 96.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.29 1.036 . . . . 0.0 113.423 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.02 -42.86 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.032 0.833 . . . . 0.0 111.484 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.62 -40.25 96.43 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.795 0.838 . . . . 0.0 112.06 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.9 ttp -65.9 -45.9 80.27 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.448 0.699 . . . . 0.0 112.434 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.5 mtm -67.77 -42.24 82.01 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 48.5 p . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.562 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.6 tp60 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -54.95 -48.66 72.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.381 1.472 . . . . 0.0 112.094 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.66 -26.95 66.46 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.6 m -94.4 -32.25 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.177 0.991 . . . . 0.0 111.848 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.6 m -58.07 -40.29 80.65 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.848 1.259 . . . . 0.0 111.401 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.98 77.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.761 0.425 . . . . 0.0 110.459 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.4 -37.24 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.474 0.709 . . . . 0.0 112.162 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -58.14 -43.48 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 110.731 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.78 -41.36 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.061 0.944 . . . . 0.0 111.002 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.99 -43.63 98.56 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.662 1.119 . . . . 0.0 112.526 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.02 -41.16 78.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.504 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.72 81.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.153 0.581 . . . . 0.0 112.173 169.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 53.4 t80 -69.91 -48.26 59.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.81 -31.7 72.75 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.011 -1.055 . . . . 0.0 112.041 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 46.1 tpt85 -63.96 -37.16 86.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.144 0.883 . . . . 0.0 112.069 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.0 t80 -71.22 -37.07 72.06 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 45.6 mt . . . . . 0 N--CA 1.471 0.621 0 O-C-N 121.371 -0.831 . . . . 0.0 112.554 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -71.26 -44.86 64.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.099 0.96 . . . . 0.0 111.901 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -62.35 -42.48 99.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.483 0.713 . . . . 0.0 111.04 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.0 mt -62.63 -43.59 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.509 -0.757 . . . . 0.0 111.044 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.61 76.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.666 1.121 . . . . 0.0 113.026 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.07 -45.34 85.71 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.79 -1.194 . . . . 0.0 111.576 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -68.1 -32.78 73.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -57.95 -50.24 74.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.803 1.641 . . . . 0.0 111.234 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.02 -49.79 71.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.199 0.599 . . . . 0.0 111.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.35 75.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -73.26 -48.2 36.76 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.308 0.958 . . . . 0.0 112.042 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -59.75 -25.25 64.71 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.333 1.053 . . . . 0.0 112.565 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.08 -20.79 10.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.773 1.629 . . . . 0.0 114.661 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -129.78 6.71 5.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.419 1.488 . . . . 0.0 112.983 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t0 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.157 0.983 . . . . 0.0 110.308 175.166 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.75 59.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.9 1.238 . . . . 0.0 113.913 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.4 p -141.96 148.93 39.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.621 1.211 . . . . 0.0 113.5 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 pt -120.64 172.41 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.239 2.216 . . . . 0.0 110.524 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -85.56 157.86 20.28 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.24 1.019 . . . . 0.0 112.248 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 p -61.39 -29.77 70.13 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -74.33 -35.0 63.61 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -18.7 57.32 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.258 174.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.6 -60.13 2.14 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.032 1.333 . . . . 0.0 111.656 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.9 -26.07 68.49 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.923 -0.376 . . . . 0.0 113.501 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 m -73.76 -36.86 65.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.261 1.031 . . . . 0.0 111.574 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.326 2.0 m -71.17 -30.67 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 121.631 -0.668 . . . . 0.0 111.594 170.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.2 mtp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.034 -1.041 . . . . 0.0 112.082 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -60.31 -38.77 84.73 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.157 0.983 . . . . 0.0 111.992 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -63.0 -29.97 71.24 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.626 0.77 . . . . 0.0 112.813 171.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.37 23.29 3.0 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.401 1.88 . . . . 0.0 113.992 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.38 27.63 65.38 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 168.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.27 139.02 22.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.096 1.448 . . . . 0.0 112.352 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -109.89 88.17 6.48 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 123.861 0.864 . . . . 0.0 110.869 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -66.4 152.53 80.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.489 2.792 . . . . 0.0 112.09 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -73.19 161.07 30.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.443 0.639 . . . . 0.0 111.691 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -60.01 -37.39 79.6 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.229 -0.92 . . . . 0.0 111.796 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.95 79.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.017 0.927 . . . . 0.0 112.568 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -65.36 -44.42 87.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.7 0.8 . . . . 0.0 111.719 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.65 -46.7 89.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.351 0.66 . . . . 0.0 111.42 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.29 -41.05 88.06 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.618 0.767 . . . . 0.0 112.278 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.45 -42.86 95.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.772 0.829 . . . . 0.0 112.352 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.0 mtm -66.99 -42.28 85.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.471 -0.768 . . . . 0.0 112.072 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.84 -29.29 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.778 0.831 . . . . 0.0 111.714 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -62.62 -27.91 69.53 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.1 1.318 . . . . 0.0 113.024 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.3 -45.59 11.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.793 0.837 . . . . 0.0 112.459 171.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 t -71.17 -39.67 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.23 1.412 . . . . 0.0 113.473 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.58 48.32 1.3 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.124 1.77 . . . . 0.0 112.204 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -25.97 62.94 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -92.24 0.05 57.44 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.942 1.297 . . . . 0.0 114.221 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 41.15 70.68 Favored Glycine 0 CA--C 1.538 1.473 0 O-C-N 120.786 -1.196 . . . . 0.0 115.512 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -76.29 -22.77 54.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.144 1.378 . . . . 0.0 113.262 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.47 17.88 78.06 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.837 1.685 . . . . 0.0 114.374 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.1 p -139.58 160.52 39.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.125 1.37 . . . . 0.0 113.553 -173.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.29 135.81 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.613 1.965 . . . . 0.0 108.764 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.82 156.57 20.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.917 0.887 . . . . 0.0 112.434 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -46.54 -56.01 12.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.17 -22.23 30.49 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.783 1.656 . . . . 0.0 113.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -72.61 -38.67 67.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.835 0.743 . . . . 0.0 111.41 173.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.43 -40.42 96.52 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.381 -0.824 . . . . 0.0 112.244 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.81 -19.02 63.65 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -34.53 77.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.109 0.868 . . . . 0.0 112.96 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -83.92 -37.65 22.06 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.426 -0.796 . . . . 0.0 111.292 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.4 mmm -63.54 -21.26 66.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.994 0.918 . . . . 0.0 112.796 169.065 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.4 -32.94 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.952 0.901 . . . . 0.0 112.144 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -68.68 -46.8 68.11 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.615 0.766 . . . . 0.0 111.043 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.28 -46.87 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.12 0.968 . . . . 0.0 110.217 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.11 -43.59 95.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -72.16 -40.43 67.99 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.522 -0.736 . . . . 0.0 112.917 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -26.84 68.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.824 1.25 . . . . 0.0 112.957 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -76.07 -43.21 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.987 -1.071 . . . . 0.0 111.637 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -58.44 -31.56 67.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 0.0 113.346 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.53 -15.85 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 172.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE1' HG21 ' A' ' 108' ' ' VAL . 14.4 m-85 -98.71 -11.98 21.44 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.169 1.387 . . . . 0.0 113.694 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 119.291 0.951 . . . . 0.0 110.631 -179.397 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.308 0 N-CA-C 113.976 0.35 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.19 168.61 23.49 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.045 1.738 . . . . 0.0 109.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -127.67 138.02 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.917 1.287 . . . . 0.0 109.208 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -66.77 140.32 57.84 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.898 -1.126 . . . . 0.0 110.734 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.81 87.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.902 -1.124 . . . . 0.0 112.817 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.54 70.81 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.694 0.797 . . . . 0.0 112.91 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -75.24 -42.71 54.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.878 0.871 . . . . 0.0 111.872 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.8 -40.64 83.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.618 0.645 . . . . 0.0 110.461 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -59.62 -40.39 87.41 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.036 0.835 . . . . 0.0 112.081 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -57.46 -62.62 1.65 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.967 0.803 . . . . 0.0 110.622 172.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 92' ' ' PHE . 14.5 p -65.61 -35.33 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.085 0.857 . . . . 0.0 112.884 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mmt -69.17 -14.68 63.12 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.2 p -118.5 -3.23 10.93 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.13 -44.35 6.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.109 1.763 . . . . 0.0 112.223 172.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.1 mt -122.23 140.12 52.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 112.048 -167.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.33 -146.73 32.06 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 114.636 0.614 . . . . 0.0 114.636 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.97 23.2 0.14 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -170.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 24.91 100.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.424 3.49 . . . . 0.0 115.159 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.43 144.27 47.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.659 0.784 . . . . 0.0 111.288 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.78 160.65 27.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.739 0.816 . . . . 0.0 110.072 171.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -56.13 -45.13 79.67 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.757 -1.214 . . . . 0.0 113.553 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -72.61 -25.68 61.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.145 -0.972 . . . . 0.0 112.786 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.08 -42.03 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.734 1.614 . . . . 0.0 111.863 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.98 -34.47 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.653 0.781 . . . . 0.0 110.869 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -65.12 -42.77 93.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.375 0.67 . . . . 0.0 111.592 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -56.07 -42.84 77.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.462 0.705 . . . . 0.0 111.227 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.05 -50.38 71.12 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.025 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.2 mm -61.13 -34.04 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 120.503 1.501 . . . . 0.0 111.608 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -57.45 -34.68 69.24 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.425 1.466 . . . . 0.0 113.485 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.11 -19.76 12.93 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.514 1.526 . . . . 0.0 113.912 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.8 -33.71 27.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.885 . . . . 0.0 112.926 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.627 1.171 . . . . 0.0 112.84 178.05 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.269 0 N-CA-C 114.481 0.552 . . . . 0.0 114.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.93 100.68 6.71 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.257 1.423 . . . . 0.0 110.319 -177.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.04 124.4 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.323 0.649 . . . . 0.0 110.603 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -93.33 98.27 11.14 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.173 0.987 . . . . 0.0 110.496 169.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -68.71 -26.27 65.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.491 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.04 -30.22 64.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.88 1.218 . . . . 0.0 112.066 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -75.11 -42.18 56.99 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 167.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.25 -44.37 95.35 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.605 1.162 . . . . 0.0 113.467 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.08 -47.93 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.863 0.865 . . . . 0.0 111.271 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -63.49 -34.65 78.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.488 0.715 . . . . 0.0 112.396 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.8 ttp -68.76 -45.69 70.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.423 0.689 . . . . 0.0 112.446 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.98 -40.22 94.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.066 0.848 . . . . 0.0 112.344 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 64.2 p . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.97 -46.85 75.11 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.002 1.321 . . . . 0.0 112.284 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -71.14 -18.88 62.49 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.6 m -103.92 -31.42 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.713 1.205 . . . . 0.0 111.907 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.1 m -57.01 -39.88 75.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.341 1.457 . . . . 0.0 111.747 172.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.74 77.82 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 110.146 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 98.4 mt -63.78 -39.05 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 120.846 -1.159 . . . . 0.0 112.076 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.3 mt -58.74 -42.02 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.204 1.001 . . . . 0.0 110.848 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.83 -39.68 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.191 0.996 . . . . 0.0 111.324 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -58.37 -46.34 86.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.747 1.158 . . . . 0.0 111.442 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -59.15 -53.33 59.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.105 1.362 . . . . 0.0 111.212 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.61 74.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.589 0.755 . . . . 0.0 112.782 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.8 t80 -70.88 -49.42 46.2 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.841 -0.537 . . . . 0.0 112.257 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -62.65 -33.61 75.39 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.537 1.062 . . . . 0.0 111.939 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -58.54 -45.81 88.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.002 0.921 . . . . 0.0 110.783 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -70.88 -31.44 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.266 1.426 . . . . 0.0 114.519 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 119.817 1.19 . . . . 0.0 112.207 175.008 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.68 -43.63 75.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.149 0.98 . . . . 0.0 112.246 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -63.73 -44.62 93.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.342 0.657 . . . . 0.0 111.292 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.73 -42.42 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.319 0.648 . . . . 0.0 110.561 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.63 87.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.198 0.908 . . . . 0.0 112.953 176.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.16 -41.17 86.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 112.024 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -68.53 -33.54 74.3 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.192 -0.942 . . . . 0.0 112.006 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -56.93 -53.05 62.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.524 1.529 . . . . 0.0 110.996 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.44 -26.74 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -43.01 64.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.881 0.872 . . . . 0.0 112.729 169.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.77 -48.22 40.14 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.345 -0.847 . . . . 0.0 112.587 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -63.35 -14.41 49.73 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.21 -20.96 61.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.802 1.241 . . . . 0.0 113.857 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -123.75 -4.64 8.13 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 t0 . . . . . 0 CA--C 1.546 0.789 0 O-C-N 121.436 -0.79 . . . . 0.0 109.683 171.415 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 34.3 21.9 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.726 1.155 . . . . 0.0 113.973 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -139.49 155.95 47.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.529 1.164 . . . . 0.0 113.491 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.9 pt -131.32 169.89 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 127.008 2.123 . . . . 0.0 110.734 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 p -81.98 158.38 23.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 122.274 1.035 . . . . 0.0 112.667 168.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 p -61.38 -26.77 68.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.235 1.014 . . . . 0.0 112.589 171.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -68.7 -39.73 80.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 112.388 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.44 -18.77 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.6 -59.21 3.15 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.584 1.154 . . . . 0.0 111.629 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.25 -25.59 69.88 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 122.071 -0.393 . . . . 0.0 113.515 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.43 -39.45 71.06 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.222 1.011 . . . . 0.0 111.349 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.328 2.0 m -72.85 -28.79 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 O-C-N 121.304 -0.873 . . . . 0.0 111.761 172.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.5 mtp -66.52 -39.74 88.79 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.768 -1.208 . . . . 0.0 111.826 168.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.95 -36.35 79.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.953 0.901 . . . . 0.0 112.274 173.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 t -62.22 -34.8 77.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.683 0.793 . . . . 0.0 112.18 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.9 27.93 0.52 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.534 1.934 . . . . 0.0 114.07 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.75 14.8 70.55 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 116.708 1.443 . . . . 0.0 116.708 168.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -139.0 129.64 26.0 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.11 1.455 . . . . 0.0 112.11 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -104.84 93.59 6.42 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.694 1.198 . . . . 0.0 110.227 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.03 157.34 62.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.635 2.89 . . . . 0.0 113.02 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -73.71 151.61 40.66 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.732 1.213 . . . . 0.0 110.877 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -64.49 -36.16 83.28 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.991 -1.693 . . . . 0.0 113.37 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.66 72.1 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.705 0.802 . . . . 0.0 112.679 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -66.12 -45.2 81.95 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.577 1.151 . . . . 0.0 110.984 173.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.74 -45.21 92.92 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.611 0.764 . . . . 0.0 111.758 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.66 -41.11 89.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.656 0.662 . . . . 0.0 112.158 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.5 -45.02 80.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.497 0.719 . . . . 0.0 112.234 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtm -65.4 -32.43 74.05 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 112.783 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.28 -36.06 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -61.0 -30.97 70.6 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.814 1.643 . . . . 0.0 112.676 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.62 -17.39 61.17 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 172.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.93 -49.86 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.33 1.452 . . . . 0.0 113.488 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -102.47 49.07 0.85 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.647 1.979 . . . . 0.0 112.133 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -22.37 65.27 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.921 -1.112 . . . . 0.0 113.09 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.84 -14.97 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.784 1.233 . . . . 0.0 113.719 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.52 67.31 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.915 1.245 . . . . 0.0 115.125 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -77.0 -17.7 58.68 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.609 1.205 . . . . 0.0 113.789 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.89 19.29 73.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.386 1.469 . . . . 0.0 114.561 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -136.05 160.38 38.8 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.947 1.299 . . . . 0.0 113.804 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.5 mt -141.11 137.45 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.218 2.207 . . . . 0.0 108.692 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.25 156.62 18.17 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.846 0.748 . . . . 0.0 111.483 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -47.24 -54.84 18.53 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.05 -22.77 30.31 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.81 1.673 . . . . 0.0 113.302 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.69 -34.15 62.58 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.579 -0.701 . . . . 0.0 111.711 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -63.22 -42.19 99.23 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.446 -0.784 . . . . 0.0 111.88 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.35 -19.76 64.92 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -35.83 80.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.056 0.843 . . . . 0.0 112.947 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ptp -84.01 -33.25 24.58 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.639 -0.663 . . . . 0.0 111.853 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.6 mmm -62.45 -35.67 80.03 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.674 -0.641 . . . . 0.0 111.309 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 124.038 0.935 . . . . 0.0 113.503 170.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -67.67 -36.25 80.35 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.592 0.757 . . . . 0.0 111.625 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -42.94 80.87 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.11 0.964 . . . . 0.0 111.067 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.46 -47.23 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.076 0.951 . . . . 0.0 110.604 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -58.06 -45.39 87.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.237 0.926 . . . . 0.0 111.847 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -65.09 -45.51 84.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.318 0.647 . . . . 0.0 112.243 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.39 89.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.78 1.232 . . . . 0.0 112.464 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -66.05 -42.45 89.52 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.204 -0.935 . . . . 0.0 112.281 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.5 -21.75 66.76 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.286 -0.884 . . . . 0.0 113.307 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -68.74 -23.51 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.558 1.543 . . . . 0.0 112.519 168.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -97.47 -24.97 15.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.176 1.39 . . . . 0.0 113.589 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.232 1.013 . . . . 0.0 109.9 175.211 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.272 0 N-CA-C 113.135 0.014 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.46 164.06 38.31 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.844 1.257 . . . . 0.0 111.559 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.66 139.11 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.99 1.716 . . . . 0.0 108.781 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -66.99 139.66 57.69 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.586 -1.321 . . . . 0.0 111.303 172.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.92 82.33 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.179 -0.95 . . . . 0.0 112.591 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.34 72.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.625 0.77 . . . . 0.0 112.973 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -74.73 -42.29 58.57 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.403 -0.81 . . . . 0.0 111.881 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.29 -40.21 86.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.089 0.859 . . . . 0.0 110.82 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.48 -38.67 90.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.81 0.844 . . . . 0.0 112.234 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -57.28 -63.48 1.21 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.026 0.531 . . . . 0.0 110.167 171.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.36 -37.51 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.867 0.758 . . . . 0.0 112.7 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.4 mmt -68.36 -16.69 64.02 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 p -113.87 5.27 16.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 170.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -109.63 -39.56 5.1 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.924 1.29 . . . . 0.0 113.122 174.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 34.6 mt -125.66 139.45 53.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 111.224 -168.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.85 -150.83 38.31 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-O 121.962 0.757 . . . . 0.0 114.41 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.17 16.19 0.26 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -168.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.04 107.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 129.606 3.162 . . . . 0.0 114.815 -176.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.56 136.9 56.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.06 -1.025 . . . . 0.0 109.194 168.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -64.82 161.93 17.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.727 1.211 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.89 -44.38 29.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.457 1.503 . . . . 0.0 114.499 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.61 -29.66 27.56 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.139 0.976 . . . . 0.0 113.024 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.08 -40.82 67.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.997 1.719 . . . . 0.0 112.387 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.32 -30.67 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.572 -0.705 . . . . 0.0 111.072 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.19 -37.63 63.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.15 0.98 . . . . 0.0 112.038 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -56.82 -40.89 76.84 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.104 1.362 . . . . 0.0 110.075 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -59.02 -55.98 28.12 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.985 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.65 -40.06 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 120.967 1.712 . . . . 0.0 111.007 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -62.23 -14.2 35.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.6 -13.49 7.51 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.79 -25.31 30.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.866 2.466 . . . . 0.0 113.34 170.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -170.732 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 116.324 1.289 . . . . 0.0 116.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -108.23 140.82 40.9 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.557 1.178 . . . . 0.0 111.108 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.3 t -114.31 131.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.456 1.902 . . . . 0.0 109.404 171.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -100.11 93.57 5.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 123.064 1.411 . . . . 0.0 112.69 171.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -60.19 -27.95 67.57 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.345 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.77 -24.87 66.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.198 0.908 . . . . 0.0 113.094 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -90.59 -36.88 14.18 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.499 -0.75 . . . . 0.0 111.387 167.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.59 -42.8 93.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.193 0.997 . . . . 0.0 112.784 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.86 -50.69 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.367 1.067 . . . . 0.0 111.831 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -64.18 -37.18 86.54 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.836 0.744 . . . . 0.0 111.793 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.38 -44.69 90.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.127 0.571 . . . . 0.0 112.11 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.0 mtm -65.99 -41.3 91.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.544 0.611 . . . . 0.0 112.566 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -177.002 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 66.9 tp60 . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.41 -43.88 75.69 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.922 1.289 . . . . 0.0 112.054 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -66.84 -24.87 66.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.5 m -101.15 -30.1 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.529 1.132 . . . . 0.0 112.307 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.7 m -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.945 1.298 . . . . 0.0 110.691 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.58 84.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.539 0.736 . . . . 0.0 110.469 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -39.39 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.858 -1.151 . . . . 0.0 112.003 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -58.23 -43.93 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.568 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -72.99 -41.06 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.454 1.102 . . . . 0.0 111.406 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -55.52 -46.67 76.99 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.718 1.145 . . . . 0.0 111.215 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -68.63 -46.99 67.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.687 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.15 78.01 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.57 -49.99 55.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.814 -0.554 . . . . 0.0 112.066 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.92 -26.54 68.64 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.46 -0.775 . . . . 0.0 112.928 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -63.88 -46.47 84.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.854 1.262 . . . . 0.0 111.103 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.8 -33.16 75.0 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.794 1.238 . . . . 0.0 113.53 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 35.7 mt . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.078 -1.014 . . . . 0.0 113.167 175.236 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.78 -50.7 72.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.052 1.341 . . . . 0.0 111.869 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.71 -44.06 87.25 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.205 1.002 . . . . 0.0 110.895 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.82 -43.74 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.655 0.782 . . . . 0.0 110.884 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.56 76.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.616 1.098 . . . . 0.0 112.974 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.3 -43.31 91.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.907 -1.121 . . . . 0.0 111.516 172.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -66.58 -33.82 76.52 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 0.0 112.516 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -59.2 -48.81 80.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.448 1.499 . . . . 0.0 110.943 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -47.88 78.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.784 0.834 . . . . 0.0 112.049 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.24 77.94 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.836 1.051 . . . . 0.0 113.836 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.45 -51.13 13.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.505 1.048 . . . . 0.0 112.321 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.8 p -63.39 -16.93 61.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.39 -22.92 21.87 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.194 1.398 . . . . 0.0 114.25 170.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -123.99 2.0 8.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.305 1.442 . . . . 0.0 113.479 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.5 t0 . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 121.517 0.675 . . . . 0.0 110.366 175.025 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.13 33.69 19.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.454 1.026 . . . . 0.0 113.61 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -140.33 158.07 44.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.56 1.144 . . . . 0.0 113.693 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.33 169.7 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 127.421 2.289 . . . . 0.0 110.004 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.42 ' HG1' ' CD ' ' A' ' 31' ' ' GLU . 30.0 p -87.12 162.78 17.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.984 -1.073 . . . . 0.0 113.138 169.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -58.58 -24.76 61.57 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.544 1.138 . . . . 0.0 112.618 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.47 -38.65 59.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.693 1.197 . . . . 0.0 112.789 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' CD ' ' HG1' ' A' ' 28' ' ' THR . 2.7 mp0 -74.79 -23.26 58.47 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.72 -61.78 1.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.107 1.363 . . . . 0.0 112.428 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -22.43 70.22 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 121.938 -0.476 . . . . 0.0 113.768 -177.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -71.68 -41.16 69.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.205 1.002 . . . . 0.0 110.646 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.31 1.4 m -71.64 -30.19 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.409 -0.807 . . . . 0.0 111.937 174.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.81 -39.47 93.63 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.005 -1.059 . . . . 0.0 111.826 168.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.31 -32.38 73.75 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.939 0.896 . . . . 0.0 113.225 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -62.89 -30.14 71.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.366 0.666 . . . . 0.0 112.373 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.67 17.62 3.84 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.118 1.767 . . . . 0.0 113.846 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 2.86 59.64 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.78 1.181 . . . . 0.0 115.54 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -81.02 176.39 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.254 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -159.71 79.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 121.13 -0.981 . . . . 0.0 109.952 166.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -66.93 152.25 80.71 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.857 3.038 . . . . 0.0 112.249 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -74.14 164.32 26.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.687 0.795 . . . . 0.0 111.886 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.98 -38.18 78.53 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.324 -0.86 . . . . 0.0 111.82 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.56 80.52 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.092 0.957 . . . . 0.0 112.687 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.81 -48.05 82.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.787 0.835 . . . . 0.0 111.624 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.28 -46.12 90.95 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.929 -0.482 . . . . 0.0 111.577 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.3 -41.26 93.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.636 0.653 . . . . 0.0 112.263 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.61 -41.14 93.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.811 0.732 . . . . 0.0 112.59 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -68.41 -40.65 81.19 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.477 -0.765 . . . . 0.0 112.018 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.88 -32.51 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.424 1.09 . . . . 0.0 111.722 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.2 -34.14 70.05 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.389 1.45 . . . . 0.0 113.479 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -80.11 -40.99 26.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.602 0.761 . . . . 0.0 112.814 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.67 -47.76 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.375 1.07 . . . . 0.0 112.678 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.87 31.25 1.09 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.011 2.125 . . . . 0.0 112.868 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.91 68.06 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.773 -1.204 . . . . 0.0 113.455 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.1 -5.52 59.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.699 1.199 . . . . 0.0 113.792 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.92 79.44 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 120.858 -1.152 . . . . 0.0 115.218 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.14 -18.17 59.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.215 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.14 11.41 79.2 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.629 1.585 . . . . 0.0 115.656 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.9 p -133.57 160.31 37.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.197 1.399 . . . . 0.0 113.306 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.2 mt -138.64 133.63 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 126.695 1.998 . . . . 0.0 108.077 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.09 157.31 19.43 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.628 0.649 . . . . 0.0 111.317 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -46.84 -54.31 20.64 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.67 -21.11 29.72 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.808 1.672 . . . . 0.0 113.453 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -74.8 -38.19 62.17 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.443 -0.785 . . . . 0.0 111.534 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -59.22 -41.14 87.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.434 -0.791 . . . . 0.0 111.684 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.81 -18.69 64.37 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -39.47 90.25 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.315 0.961 . . . . 0.0 112.582 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.19 -31.87 24.87 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.62 -0.675 . . . . 0.0 112.151 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.4 mmm -64.5 -37.43 87.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.961 0.504 . . . . 0.0 111.17 177.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 118.845 0.748 . . . . 0.0 113.006 173.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -72.3 -27.3 62.37 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.41 -0.806 . . . . 0.0 112.763 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.77 -48.65 71.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.278 0.631 . . . . 0.0 110.794 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.83 -47.22 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.149 1.38 . . . . 0.0 110.093 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.254 0.622 . . . . 0.0 112.67 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -71.2 -39.39 71.8 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.687 0.676 . . . . 0.0 112.261 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.62 76.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.957 0.903 . . . . 0.0 112.419 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.65 -43.45 76.21 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 120.938 -1.101 . . . . 0.0 112.548 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -59.51 -26.63 65.47 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.724 0.81 . . . . 0.0 113.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.5 t -64.81 -25.79 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 126.067 1.747 . . . . 0.0 113.232 170.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.413 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.6 m-85 -97.22 -18.82 19.01 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.932 1.293 . . . . 0.0 113.864 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 124.398 1.079 . . . . 0.0 110.72 178.023 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.306 0 N-CA-C 114.113 0.405 . . . . 0.0 114.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.26 165.55 30.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.003 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 mt -130.48 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.645 1.578 . . . . 0.0 108.831 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 m -65.35 142.01 58.37 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.578 -1.326 . . . . 0.0 111.113 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.64 89.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.02 -1.05 . . . . 0.0 112.405 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.91 73.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.509 0.723 . . . . 0.0 112.938 173.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -71.72 -46.9 57.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.817 0.847 . . . . 0.0 111.645 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.43 -41.34 84.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.959 0.8 . . . . 0.0 111.11 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -59.96 -40.72 90.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.895 0.878 . . . . 0.0 111.942 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -58.41 -62.6 1.72 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.122 0.569 . . . . 0.0 110.581 171.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.413 HG21 ' CE2' ' A' ' 92' ' ' PHE . 13.9 p -64.85 -35.21 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 0.0 112.69 -171.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.57 -15.62 63.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.4 p -120.29 4.15 10.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -109.45 -38.31 5.5 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 126.078 1.751 . . . . 0.0 112.675 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.9 mt -126.3 145.53 50.38 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.841 1.256 . . . . 0.0 110.893 -169.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.98 -148.55 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 114.4 0.52 . . . . 0.0 114.4 -173.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.34 -9.26 58.27 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -172.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 61.5 134.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 129.229 3.012 . . . . 0.0 113.484 -172.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.17 146.73 27.69 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.892 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.74 161.6 23.2 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.053 0.941 . . . . 0.0 110.588 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -49.47 -47.52 48.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.497 1.519 . . . . 0.0 114.187 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.87 -24.83 35.52 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.656 0.782 . . . . 0.0 112.923 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.28 -41.69 73.07 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.242 1.417 . . . . 0.0 111.949 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.84 -33.22 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.399 0.68 . . . . 0.0 111.629 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -71.5 -26.73 62.8 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.291 -0.881 . . . . 0.0 112.093 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -66.96 -33.32 75.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.223 1.009 . . . . 0.0 111.663 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.1 ttm -66.7 -53.18 36.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.298 0.639 . . . . 0.0 110.579 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.09 -35.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 119.15 0.886 . . . . 0.0 112.03 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -58.29 -31.44 67.49 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -112.06 -24.42 9.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.834 1.254 . . . . 0.0 113.446 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.89 -37.71 73.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.373 1.869 . . . . 0.0 111.946 171.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 61.7 t0 . . . . . 0 CA--C 1.542 0.657 0 O-C-N 120.941 -1.099 . . . . 0.0 110.81 169.484 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.245 0 N-CA-C 113.763 0.265 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -128.25 92.3 3.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.998 1.719 . . . . 0.0 109.855 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.6 t -66.07 127.07 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.614 -0.679 . . . . 0.0 109.883 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.67 97.14 9.12 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.979 0.895 . . . . 0.0 110.239 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -66.95 -29.37 69.22 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.241 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.06 -42.87 91.34 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.582 1.537 . . . . 0.0 112.778 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -75.23 -40.07 59.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.434 0.694 . . . . 0.0 112.372 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -61.93 -39.95 93.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.8 t -50.65 -59.54 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.721 1.208 . . . . 0.0 109.283 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -71.1 -29.17 64.95 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.955 -166.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.6 ttp -65.97 -48.85 69.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.025 1.33 . . . . 0.0 111.832 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.4 ttp -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.073 1.349 . . . . 0.0 112.491 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 174.278 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -56.99 -45.94 82.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.853 1.261 . . . . 0.0 112.667 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -71.23 -17.48 62.5 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.4 m -105.46 -30.62 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.787 1.235 . . . . 0.0 112.272 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.3 m -56.98 -40.1 75.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.713 1.205 . . . . 0.0 111.219 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.0 78.71 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.586 0.755 . . . . 0.0 110.675 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.48 -42.37 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.26 -0.9 . . . . 0.0 111.457 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.32 -42.79 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.077 0.951 . . . . 0.0 111.163 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.89 -37.67 73.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.144 0.978 . . . . 0.0 110.48 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.01 -43.72 95.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.558 1.072 . . . . 0.0 112.306 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -59.59 -49.12 78.98 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.69 0.796 . . . . 0.0 111.042 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.018 0.927 . . . . 0.0 113.229 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.18 -49.26 72.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.191 -0.318 . . . . 0.0 111.792 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.77 -29.66 70.2 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.399 -0.813 . . . . 0.0 112.459 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -58.96 -44.74 91.51 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.774 1.17 . . . . 0.0 110.838 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -66.49 -41.86 88.29 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.202 0.601 . . . . 0.0 112.53 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.402 174.512 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.4 -49.13 70.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.148 0.979 . . . . 0.0 112.553 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -64.6 -43.97 92.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.97 -42.94 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.816 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.16 90.04 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.229 0.922 . . . . 0.0 112.625 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.19 -46.03 82.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.213 -0.93 . . . . 0.0 111.893 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.0 -34.62 78.52 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.314 0.646 . . . . 0.0 112.498 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -56.7 -51.78 67.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.449 1.5 . . . . 0.0 111.161 175.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.09 -45.49 88.45 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.821 0.848 . . . . 0.0 112.04 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.72 74.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -74.82 -49.95 18.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.538 1.063 . . . . 0.0 112.422 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -62.9 -17.47 61.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.76 0.824 . . . . 0.0 113.047 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.64 -20.73 35.38 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.597 1.559 . . . . 0.0 114.257 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.22 11.34 4.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.249 1.42 . . . . 0.0 113.166 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 CA--C 1.541 0.623 0 O-C-N 121.487 -0.758 . . . . 0.0 111.309 -174.54 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.14 34.83 7.36 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.672 -1.071 . . . . 0.0 115.122 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -137.76 152.58 49.33 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.3 1.55 . . . . 0.0 113.455 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 pt -125.83 169.21 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 126.514 1.926 . . . . 0.0 110.279 172.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -83.94 159.37 21.29 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.138 0.971 . . . . 0.0 112.23 169.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.1 p -60.65 -26.83 67.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.091 0.956 . . . . 0.0 112.361 169.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -71.46 -42.33 68.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 0.0 112.618 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -75.77 -14.53 60.32 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.36 -58.97 3.24 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.505 1.122 . . . . 0.0 111.804 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.69 -28.53 73.71 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.984 -0.448 . . . . 0.0 113.457 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -65.42 -38.41 89.85 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.126 0.963 . . . . 0.0 111.092 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.317 1.5 m -75.1 -35.07 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.314 172.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.0 mtp -58.91 -38.27 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.764 1.62 . . . . 0.0 112.163 170.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.9 -30.48 70.91 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.138 0.975 . . . . 0.0 112.822 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.9 t -67.07 -33.67 76.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.827 0.851 . . . . 0.0 112.502 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.28 5.5 8.43 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.086 0.954 . . . . 0.0 113.108 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 37.91 52.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 120.783 -1.198 . . . . 0.0 113.921 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -143.49 133.08 23.61 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.239 1.02 . . . . 0.0 111.127 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -114.95 87.85 15.92 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.624 1.17 . . . . 0.0 111.407 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -69.49 154.73 68.42 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.607 2.871 . . . . 0.0 112.513 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -82.82 166.45 18.98 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.634 -0.666 . . . . 0.0 112.542 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -62.41 -42.52 99.5 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.558 -1.339 . . . . 0.0 113.215 -175.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.71 -34.83 77.66 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.66 -0.65 . . . . 0.0 112.486 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -68.19 -42.42 79.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.01 -48.25 82.7 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.532 0.733 . . . . 0.0 111.339 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.49 -34.77 77.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.9 -37.85 89.01 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.052 0.842 . . . . 0.0 112.474 175.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -71.1 -41.36 70.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.352 -0.843 . . . . 0.0 111.699 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.09 -27.24 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.856 0.862 . . . . 0.0 111.888 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -57.99 -34.86 70.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.085 1.312 . . . . 0.0 112.336 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -87.53 -40.44 14.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.952 0.901 . . . . 0.0 112.35 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -73.81 -38.16 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.128 1.371 . . . . 0.0 113.264 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -123.63 51.85 1.47 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.148 1.779 . . . . 0.0 112.423 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.8 63.17 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.251 -0.905 . . . . 0.0 113.34 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.05 -19.92 58.2 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.004 1.322 . . . . 0.0 113.835 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.71 30.11 70.84 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.376 0.989 . . . . 0.0 114.021 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -18.79 58.23 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.439 1.496 . . . . 0.0 113.202 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.13 79.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.946 1.736 . . . . 0.0 115.88 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.9 p -134.87 159.14 42.35 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.159 1.479 . . . . 0.0 114.029 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.0 mt -138.8 135.79 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.466 2.306 . . . . 0.0 108.461 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.36 157.4 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.929 0.786 . . . . 0.0 111.512 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -46.3 -56.21 11.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.523 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -68.93 -21.38 37.55 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.115 1.877 . . . . 0.0 113.587 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -74.05 -39.22 63.65 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.474 -0.766 . . . . 0.0 111.373 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.34 -39.18 89.61 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.396 -0.815 . . . . 0.0 112.233 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.22 -22.82 63.48 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -37.84 88.06 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.836 0.744 . . . . 0.0 112.629 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.91 -36.08 23.6 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.9 -0.5 . . . . 0.0 111.367 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.8 mmm -62.41 -28.0 69.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.252 0.933 . . . . 0.0 113.053 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 123.587 0.755 . . . . 0.0 112.408 169.085 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.76 -35.01 79.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.379 0.672 . . . . 0.0 112.049 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.36 -46.44 76.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.529 0.731 . . . . 0.0 111.451 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.6 mt -60.21 -46.27 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.96 0.904 . . . . 0.0 110.172 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -64.78 -38.19 90.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.953 0.901 . . . . 0.0 112.515 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.8 -43.84 71.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.236 1.015 . . . . 0.0 112.568 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.48 67.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.742 1.217 . . . . 0.0 113.241 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -76.78 -37.69 55.38 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.125 -0.984 . . . . 0.0 111.424 168.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.98 72.88 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.081 -1.012 . . . . 0.0 112.956 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.85 -11.4 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -105.57 -12.81 15.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.81 1.644 . . . . 0.0 113.778 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 124.718 1.207 . . . . 0.0 110.5 -175.789 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 CA-C-O 120.977 0.21 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.92 164.71 32.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -128.69 135.93 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.389 1.476 . . . . 0.0 108.877 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -68.18 147.04 52.82 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 120.583 -1.323 . . . . 0.0 112.112 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.92 -41.54 87.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.433 -0.792 . . . . 0.0 112.691 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.67 70.72 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.16 -48.22 45.06 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.96 0.904 . . . . 0.0 111.543 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.35 -35.73 76.19 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.662 0.664 . . . . 0.0 111.434 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -59.98 -42.75 94.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.614 1.097 . . . . 0.0 111.15 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.04 -59.51 5.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.882 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 m -58.37 -39.84 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 120.63 1.559 . . . . 0.0 111.984 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.25 -15.09 59.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -110.99 1.78 17.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -108.89 -27.62 9.61 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 176.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 mt -134.6 140.61 46.21 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.725 1.21 . . . . 0.0 110.696 -169.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.02 -146.0 26.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 114.83 0.692 . . . . 0.0 114.83 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.98 -17.59 63.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 60.55 119.6 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.792 2.837 . . . . 0.0 112.705 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.0 mt -78.14 147.8 34.41 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.433 -0.792 . . . . 0.0 110.953 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -68.2 161.09 27.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.472 1.109 . . . . 0.0 110.552 172.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -54.46 -43.89 72.09 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.21 -23.04 35.63 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.186 -0.946 . . . . 0.0 112.774 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -75.17 -40.84 59.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.367 1.467 . . . . 0.0 112.1 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.14 -33.82 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.27 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -69.91 -35.06 74.28 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.387 -0.821 . . . . 0.0 112.294 171.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.92 -33.6 73.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.919 0.782 . . . . 0.0 111.348 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -64.8 -55.4 19.87 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.594 172.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -56.91 -37.67 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.621 1.101 . . . . 0.0 111.487 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -55.73 -33.66 64.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.57 1.148 . . . . 0.0 114.046 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -110.39 -19.03 13.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.062 1.345 . . . . 0.0 114.431 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.11 -34.01 29.47 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.318 1.847 . . . . 0.0 113.012 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.7 t0 . . . . . 0 N--CA 1.473 0.7 0 C-N-CA 124.634 1.173 . . . . 0.0 111.52 175.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.306 0 N-CA-C 115.101 0.8 . . . . 0.0 115.101 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -125.41 103.18 7.77 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.0 1.4 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.46 123.33 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 110.427 171.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.66 99.97 12.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.136 0.969 . . . . 0.0 109.433 168.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.96 -24.82 63.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.911 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.47 -31.79 69.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.945 1.248 . . . . 0.0 112.174 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.78 -42.01 58.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.591 -0.693 . . . . 0.0 110.532 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.56 -40.33 92.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.294 1.038 . . . . 0.0 113.685 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.25 -43.27 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.179 -0.951 . . . . 0.0 111.599 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.986 0.914 . . . . 0.0 112.079 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.4 ttp -69.4 -48.49 60.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.675 0.79 . . . . 0.0 112.698 173.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.48 -38.9 92.9 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.436 -0.79 . . . . 0.0 112.3 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.7 -45.66 74.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 112.247 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -67.39 -26.17 66.32 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.4 m -98.56 -32.58 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.694 1.198 . . . . 0.0 111.823 -175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -57.51 -40.1 77.96 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.167 1.387 . . . . 0.0 111.395 170.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.76 70.07 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.904 -0.497 . . . . 0.0 111.303 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.57 -39.14 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.007 -1.058 . . . . 0.0 111.74 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.97 -40.07 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.867 0.867 . . . . 0.0 110.959 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.6 mt -75.75 -40.89 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.434 1.094 . . . . 0.0 111.386 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.51 -48.77 76.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.621 1.168 . . . . 0.0 111.517 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -67.38 -42.65 83.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.595 1.158 . . . . 0.0 111.486 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.89 95.97 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.408 0.683 . . . . 0.0 112.441 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -66.17 -52.73 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.269 0.627 . . . . 0.0 112.219 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.885 0.874 . . . . 0.0 112.404 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -69.17 -46.5 67.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.941 0.791 . . . . 0.0 111.242 169.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.8 -32.87 73.19 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 CA--C 1.545 0.773 0 O-C-N 121.153 -0.967 . . . . 0.0 112.712 173.422 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.16 -44.77 64.85 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.125 0.97 . . . . 0.0 111.967 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -62.04 -44.22 97.16 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.457 0.703 . . . . 0.0 111.062 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.08 -45.3 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.011 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.96 78.31 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.881 1.219 . . . . 0.0 112.969 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.4 -44.88 89.87 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.965 -1.084 . . . . 0.0 111.653 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.0 -35.48 80.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.722 0.809 . . . . 0.0 112.403 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -57.16 -51.17 70.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.646 1.578 . . . . 0.0 110.714 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -63.42 -50.8 68.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.257 0.623 . . . . 0.0 111.849 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.3 75.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -72.82 -49.3 31.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.232 1.013 . . . . 0.0 111.551 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.3 t -59.89 -26.98 66.32 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.6 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.27 -21.08 21.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.227 1.411 . . . . 0.0 114.17 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -121.2 5.21 10.29 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.935 1.694 . . . . 0.0 113.136 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.451 1.5 . . . . 0.0 110.739 174.725 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 23.22 60.21 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.889 1.233 . . . . 0.0 114.538 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -142.31 160.93 39.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.846 1.258 . . . . 0.0 113.024 -174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -135.15 171.76 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.617 1.967 . . . . 0.0 110.605 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -83.35 160.88 21.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 122.272 1.034 . . . . 0.0 112.773 169.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.7 p -62.83 -21.29 65.82 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.419 1.088 . . . . 0.0 113.538 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -83.84 -38.53 21.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.291 0.95 . . . . 0.0 112.91 171.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.42 -20.13 65.48 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.53 5.84 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.795 1.238 . . . . 0.0 111.786 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.03 -27.68 73.05 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.375 -0.828 . . . . 0.0 113.134 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -69.52 -39.84 77.28 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.233 1.013 . . . . 0.0 111.771 172.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.85 -41.9 94.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.076 0.95 . . . . 0.0 110.866 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.8 mtp -62.29 -42.72 99.59 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.276 -0.89 . . . . 0.0 112.022 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -62.89 -33.79 76.05 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.233 1.013 . . . . 0.0 112.565 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -63.72 -28.44 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.937 0.895 . . . . 0.0 112.754 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.34 8.84 22.63 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.039 1.735 . . . . 0.0 113.545 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.22 2.5 89.15 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.372 1.463 . . . . 0.0 115.48 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -99.66 118.11 35.48 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.048 1.339 . . . . 0.0 110.16 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -104.29 90.27 3.08 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.669 0.788 . . . . 0.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.07 160.19 48.11 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.049 3.166 . . . . 0.0 112.931 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -79.5 151.64 30.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.99 -40.23 97.12 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.14 -1.6 . . . . 0.0 112.947 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.25 72.23 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.805 0.842 . . . . 0.0 112.903 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -68.75 -42.63 77.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.542 1.137 . . . . 0.0 111.482 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.38 -49.71 76.26 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.664 0.786 . . . . 0.0 110.721 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.35 -39.93 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.775 0.83 . . . . 0.0 112.361 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.73 -42.47 95.18 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.971 0.909 . . . . 0.0 112.634 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.2 mtm -68.14 -40.77 82.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.4 -0.812 . . . . 0.0 112.101 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.25 -29.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.237 1.015 . . . . 0.0 111.985 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.9 -26.84 67.73 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.042 1.292 . . . . 0.0 113.251 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -90.95 -47.11 7.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.894 0.878 . . . . 0.0 112.321 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.79 -35.5 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.852 1.261 . . . . 0.0 113.144 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -115.85 46.83 1.46 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.251 1.82 . . . . 0.0 111.948 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -26.46 63.38 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -85.42 -5.12 59.32 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 114.326 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.91 39.4 59.27 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.423 1.011 . . . . 0.0 115.3 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.42 -21.85 55.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.992 1.317 . . . . 0.0 113.332 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.46 17.44 76.26 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.832 1.682 . . . . 0.0 113.818 -169.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -139.36 162.13 35.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.564 1.545 . . . . 0.0 113.092 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mt -140.57 136.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.78 2.032 . . . . 0.0 109.186 -173.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.98 155.62 18.98 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.474 0.709 . . . . 0.0 111.486 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.46 -51.62 19.8 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.66 -27.91 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.989 1.792 . . . . 0.0 113.804 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.07 -25.39 58.57 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.2 -0.938 . . . . 0.0 112.147 174.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -72.35 -47.03 52.75 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.441 -0.787 . . . . 0.0 110.794 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.93 -31.56 71.89 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.409 -0.807 . . . . 0.0 112.327 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -50.88 -42.94 59.42 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.44 1.496 . . . . 0.0 112.762 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.6 ptp -84.37 -34.17 23.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.234 0.925 . . . . 0.0 113.025 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.8 mmm -63.05 -31.62 72.8 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.84 -0.537 . . . . 0.0 111.897 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 123.79 0.836 . . . . 0.0 112.375 170.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -70.39 -29.29 65.89 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.038 -1.039 . . . . 0.0 112.43 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.46 -46.84 81.35 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.402 -0.811 . . . . 0.0 111.064 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -47.27 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.741 1.216 . . . . 0.0 110.235 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.54 -41.97 99.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.763 0.825 . . . . 0.0 112.486 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.69 -44.73 77.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.824 0.85 . . . . 0.0 112.225 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.16 66.88 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 113.528 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.67 -42.74 33.56 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.092 -1.005 . . . . 0.0 111.426 168.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -62.77 -24.35 67.68 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.9 m -70.24 -19.82 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -95.26 -22.96 17.46 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 112.978 172.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 124.959 1.304 . . . . 0.0 110.945 177.367 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.382 0 N-CA-C 113.627 0.211 . . . . 0.0 113.627 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.57 163.42 34.84 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.101 1.36 . . . . 0.0 111.039 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -130.03 143.7 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.716 2.006 . . . . 0.0 108.369 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 p -68.26 149.69 49.17 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.122 -1.611 . . . . 0.0 111.576 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.945 -1.097 . . . . 0.0 111.952 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.21 90.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.747 0.819 . . . . 0.0 112.286 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.66 -43.55 75.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.89 0.876 . . . . 0.0 112.245 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.65 -41.01 72.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.063 0.847 . . . . 0.0 111.275 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -59.77 -40.9 89.75 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.454 1.024 . . . . 0.0 111.648 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.97 -63.17 1.3 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.133 0.573 . . . . 0.0 110.576 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.427 HG21 ' CE2' ' A' ' 92' ' ' PHE . 12.0 p -64.62 -33.63 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.641 1.11 . . . . 0.0 112.944 -172.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.4 mmt -71.2 -11.56 61.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 p -124.39 -2.46 8.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -97.06 -40.32 8.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.833 2.053 . . . . 0.0 111.406 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.4 mt -123.6 159.38 29.36 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.678 1.591 . . . . 0.0 111.692 -169.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 68.16 -149.46 50.11 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.259 -0.882 . . . . 0.0 114.354 -171.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -71.63 -14.58 62.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.867 1.667 . . . . 0.0 113.623 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.82 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.82 2.848 . . . . 0.0 112.994 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.27 156.46 37.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.884 0.873 . . . . 0.0 112.658 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -66.7 157.05 33.67 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.313 0.645 . . . . 0.0 110.234 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.88 -46.77 71.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.696 1.198 . . . . 0.0 113.971 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -74.54 -27.45 60.52 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.233 -0.917 . . . . 0.0 112.546 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -74.41 -39.89 62.36 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.697 1.199 . . . . 0.0 111.705 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.89 -33.4 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.424 0.69 . . . . 0.0 112.009 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.56 -36.24 80.57 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.675 -1.266 . . . . 0.0 112.009 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -33.19 72.22 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.372 -0.83 . . . . 0.0 112.022 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -64.05 -54.22 37.65 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.508 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.46 -40.05 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.966 . . . . 0.0 111.221 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -54.4 -32.94 58.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.786 1.234 . . . . 0.0 113.938 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -109.82 -25.11 10.51 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.53 -35.53 46.09 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.368 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.478 0.932 0 C-N-CA 125.964 1.705 . . . . 0.0 111.155 170.186 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -125.01 87.6 2.74 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.758 1.623 . . . . 0.0 108.792 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -63.1 122.0 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 110.191 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -94.1 97.39 10.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.939 0.876 . . . . 0.0 111.023 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.93 -26.79 65.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.933 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.8 -34.91 79.47 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.877 1.217 . . . . 0.0 112.066 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -75.45 -43.25 50.54 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.121 -0.987 . . . . 0.0 111.267 169.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.05 -45.17 93.5 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.403 1.081 . . . . 0.0 113.072 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.65 -38.91 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.751 1.159 . . . . 0.0 111.875 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -68.1 -43.06 79.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.569 0.748 . . . . 0.0 112.053 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.8 ttp -64.8 -47.46 78.0 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.533 0.733 . . . . 0.0 112.066 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.28 -25.96 67.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.003 1.721 . . . . 0.0 112.679 -173.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 125.215 1.406 . . . . 0.0 114.489 173.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 47.7 tt0 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.27 -45.08 72.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.425 1.09 . . . . 0.0 111.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.94 -25.61 66.43 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.9 m -103.44 -28.63 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.656 1.182 . . . . 0.0 112.342 -173.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.4 m -58.52 -38.83 78.56 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.372 1.069 . . . . 0.0 110.635 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.39 -41.92 77.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.508 0.723 . . . . 0.0 110.407 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.3 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.082 -1.011 . . . . 0.0 112.353 -176.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.2 mt -59.65 -42.64 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.143 0.977 . . . . 0.0 110.94 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.11 -39.69 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.409 1.084 . . . . 0.0 110.982 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.2 -45.62 92.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.692 1.133 . . . . 0.0 111.447 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -58.18 -54.21 49.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.697 1.199 . . . . 0.0 110.739 174.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.97 85.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.4 t80 -63.71 -54.5 34.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.409 0.684 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.57 -26.94 66.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.958 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -63.29 -47.83 80.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.854 1.661 . . . . 0.0 110.862 168.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.47 -37.48 86.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.594 0.758 . . . . 0.0 112.053 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 CA--C 1.537 0.448 0 O-C-N 121.116 -0.99 . . . . 0.0 113.005 174.097 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -65.89 -36.34 83.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.414 1.085 . . . . 0.0 112.994 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -74.43 -45.58 45.56 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.317 0.647 . . . . 0.0 111.042 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.33 -44.93 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.021 0.929 . . . . 0.0 111.057 -176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.98 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.5 -44.58 67.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 111.482 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -63.95 -34.04 77.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.34 0.656 . . . . 0.0 112.395 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -54.34 -49.79 68.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.8 1.64 . . . . 0.0 111.746 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.81 -50.46 62.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.619 0.767 . . . . 0.0 111.708 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.0 72.83 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -75.25 -48.71 22.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.127 0.876 . . . . 0.0 112.139 175.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.89 -25.28 64.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.09 0.956 . . . . 0.0 112.656 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.85 -21.02 6.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.894 1.678 . . . . 0.0 114.619 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.72 11.64 4.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.55 1.54 . . . . 0.0 112.938 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.541 0.601 0 O-C-N 121.409 -0.807 . . . . 0.0 110.932 -176.471 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 CA--C 1.546 0.805 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.43 29.77 13.5 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.199 -0.938 . . . . 0.0 114.445 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -139.1 149.45 44.56 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.912 1.356 . . . . 0.0 113.294 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -118.94 169.71 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.304 1.842 . . . . 0.0 110.147 171.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -83.95 158.61 21.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.191 0.996 . . . . 0.0 112.175 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -62.67 -22.02 66.16 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.283 1.033 . . . . 0.0 112.815 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.94 -42.54 48.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 112.966 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.01 -15.68 60.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.59 -60.45 2.18 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.732 1.213 . . . . 0.0 112.129 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.63 -26.34 69.71 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 122.038 -0.414 . . . . 0.0 113.402 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -69.0 -40.29 78.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.09 0.956 . . . . 0.0 111.204 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.295 1.8 m -72.45 -31.29 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.375 -0.828 . . . . 0.0 112.2 173.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.01 -43.08 99.75 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.096 -1.002 . . . . 0.0 111.331 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -64.41 -34.36 77.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.269 1.028 . . . . 0.0 112.365 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 t -61.74 -36.1 80.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.766 0.826 . . . . 0.0 112.176 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.41 7.97 8.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.795 1.638 . . . . 0.0 114.158 170.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.31 4.72 89.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.141 1.353 . . . . 0.0 115.786 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -102.47 124.56 48.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.033 1.416 . . . . 0.0 110.472 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -109.87 87.03 5.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 123.938 0.895 . . . . 0.0 111.017 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.73 152.77 64.53 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.21 3.273 . . . . 0.0 112.907 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -73.08 151.64 41.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.449 1.1 . . . . 0.0 110.373 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -59.69 -35.13 73.86 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.503 -1.373 . . . . 0.0 112.817 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.51 94.39 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.048 0.939 . . . . 0.0 112.44 173.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.18 -44.28 95.86 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.659 -0.651 . . . . 0.0 111.112 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.42 -48.3 82.17 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.37 0.532 . . . . 0.0 111.385 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -62.27 -39.37 92.7 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.464 1.029 . . . . 0.0 112.391 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -65.8 -38.49 89.12 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.454 -0.779 . . . . 0.0 113.084 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -70.53 -41.04 73.06 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.453 -0.78 . . . . 0.0 111.633 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.405 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 54.2 mt -71.91 -22.13 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 121.363 -0.836 . . . . 0.0 112.857 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.95 -29.19 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.044 -1.035 . . . . 0.0 111.35 168.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -89.46 -47.5 7.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.408 1.083 . . . . 0.0 112.706 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.405 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 16.4 m -76.17 -14.99 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -140.04 52.48 1.68 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.197 0.999 . . . . 0.0 112.612 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.01 -23.66 63.85 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 174.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.67 -16.41 57.33 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.898 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.94 70.63 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.548 1.071 . . . . 0.0 114.879 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -76.76 -17.38 59.09 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 118.584 1.192 . . . . 0.0 113.798 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.08 16.7 76.12 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.522 1.534 . . . . 0.0 114.587 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -134.41 159.23 41.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.019 1.327 . . . . 0.0 113.774 -176.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 mt -139.12 137.12 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 127.366 2.266 . . . . 0.0 108.378 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.52 157.29 19.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.956 0.798 . . . . 0.0 111.905 173.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -47.71 -55.67 16.21 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.04 -21.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.975 1.783 . . . . 0.0 113.327 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -41.09 71.49 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.712 0.687 . . . . 0.0 111.168 172.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.63 -40.22 94.09 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.362 -0.837 . . . . 0.0 112.634 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.96 -25.04 66.54 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -37.08 78.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.549 0.74 . . . . 0.0 112.817 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -84.29 -33.7 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.922 -0.486 . . . . 0.0 112.035 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -64.17 -28.77 69.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 170.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.76 -35.84 77.59 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.609 -0.682 . . . . 0.0 111.851 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -68.14 -42.37 80.23 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.956 0.902 . . . . 0.0 111.691 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.94 -45.37 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.011 0.924 . . . . 0.0 110.327 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -60.58 -44.19 96.48 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.48 1.036 . . . . 0.0 112.425 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -62.92 -42.92 99.95 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.902 0.774 . . . . 0.0 112.569 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.12 68.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.942 1.297 . . . . 0.0 113.632 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.07 -41.95 57.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.918 -1.114 . . . . 0.0 112.23 171.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -57.34 -29.3 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -74.79 -12.32 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CE2' HG22 ' A' ' 108' ' ' VAL . 11.5 m-85 -100.47 -22.77 14.91 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.886 1.275 . . . . 0.0 112.978 169.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 124.428 1.091 . . . . 0.0 110.295 175.062 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.416 0 N-CA-C 113.928 0.331 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.01 166.34 31.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.289 1.436 . . . . 0.0 110.513 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -129.64 138.05 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.504 1.521 . . . . 0.0 109.166 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -65.08 140.3 58.81 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.879 -1.138 . . . . 0.0 110.987 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.98 86.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.295 -0.878 . . . . 0.0 112.605 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -75.04 -43.32 54.2 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.379 -0.826 . . . . 0.0 111.821 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.54 -38.97 84.97 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.03 0.832 . . . . 0.0 110.741 174.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttt-85 -62.24 -37.7 86.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.561 0.744 . . . . 0.0 112.247 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -57.96 -64.76 0.8 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.617 0.644 . . . . 0.0 110.298 170.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.411 HG22 ' CE2' ' A' ' 92' ' ' PHE . 11.3 p -63.22 -39.69 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.733 0.697 . . . . 0.0 112.559 -171.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -66.24 -16.38 63.96 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.6 p -115.57 3.18 13.95 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -116.05 -29.93 6.17 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.171 1.388 . . . . 0.0 113.975 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 mt -131.82 137.78 48.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.823 1.249 . . . . 0.0 110.026 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.62 -146.56 30.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.9 8.57 1.93 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 39.88 103.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 129.908 3.283 . . . . 0.0 114.332 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.74 142.3 58.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.184 -0.947 . . . . 0.0 110.39 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.772 0.829 . . . . 0.0 109.975 173.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.0 -51.98 59.9 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.667 -1.271 . . . . 0.0 114.311 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -71.57 -21.71 61.84 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.985 -1.072 . . . . 0.0 113.179 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -78.43 -41.87 31.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.674 1.19 . . . . 0.0 111.884 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 p -72.57 -34.36 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 123.919 0.888 . . . . 0.0 110.543 173.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.24 -40.65 94.31 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.542 -0.724 . . . . 0.0 111.285 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -57.81 -39.97 78.85 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.863 0.756 . . . . 0.0 111.462 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.2 ttm -58.95 -54.46 46.89 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.934 170.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.4 mm -58.06 -38.41 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 121.349 1.886 . . . . 0.0 111.713 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -57.35 -27.46 62.27 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.43 -17.75 9.99 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.01 -33.83 33.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.189 2.195 . . . . 0.0 112.429 172.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t0 . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 124.429 1.091 . . . . 0.0 111.61 171.103 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.292 0 N-CA-C 114.209 0.444 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -126.92 99.89 5.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.578 1.551 . . . . 0.0 110.671 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.0 t -74.58 128.38 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.669 -0.645 . . . . 0.0 110.247 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -97.76 99.89 11.25 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.97 0.891 . . . . 0.0 111.007 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -70.06 -25.93 63.77 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.144 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.93 -32.6 72.33 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.904 1.229 . . . . 0.0 112.246 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -75.07 -42.49 56.74 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 110.518 168.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.92 -43.93 94.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.368 1.067 . . . . 0.0 113.65 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.03 -43.69 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.14 0.976 . . . . 0.0 111.711 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -66.32 -39.14 89.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.373 0.669 . . . . 0.0 111.558 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.1 ttp -64.28 -46.28 84.35 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.633 -0.667 . . . . 0.0 112.665 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.2 mtm -65.41 -43.19 91.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.754 0.706 . . . . 0.0 112.01 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 114.287 1.218 . . . . 0.0 114.287 -177.281 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 N--CA 1.468 0.457 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -52.02 -44.53 64.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.841 1.256 . . . . 0.0 112.611 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.27 -22.2 62.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -104.38 -30.66 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.834 1.253 . . . . 0.0 111.886 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 37.1 m -56.47 -40.34 74.72 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.338 1.455 . . . . 0.0 111.508 169.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.69 75.55 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.862 -0.524 . . . . 0.0 110.331 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.37 -43.38 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.084 -1.01 . . . . 0.0 111.377 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.8 mt -55.4 -43.54 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.375 1.07 . . . . 0.0 111.598 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.23 -36.34 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.797 0.839 . . . . 0.0 110.899 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.17 -43.54 98.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.772 1.169 . . . . 0.0 111.695 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.37 -49.17 78.83 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.925 0.89 . . . . 0.0 110.638 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.42 97.3 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.869 0.867 . . . . 0.0 112.653 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.5 -51.46 42.99 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -66.8 -24.72 66.21 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.49 -0.756 . . . . 0.0 112.877 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -47.09 65.69 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.713 0.805 . . . . 0.0 110.82 168.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.38 -36.53 78.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.109 0.964 . . . . 0.0 112.949 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 CA--C 1.549 0.907 0 CA-C-N 119.276 0.944 . . . . 0.0 112.903 173.697 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.64 -44.14 74.82 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.941 0.896 . . . . 0.0 112.148 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.41 -43.62 98.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.268 0.627 . . . . 0.0 111.139 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.61 -44.74 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.782 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.0 75.88 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.501 1.046 . . . . 0.0 113.2 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.7 -46.68 78.09 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 111.723 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -67.18 -34.23 77.08 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.735 -0.603 . . . . 0.0 112.405 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.3 -50.24 73.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.352 1.461 . . . . 0.0 110.917 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.77 -51.21 68.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.287 0.635 . . . . 0.0 111.92 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.9 -33.15 75.05 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -74.99 -46.95 31.77 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.242 0.928 . . . . 0.0 111.965 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -61.02 -22.66 64.76 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.509 1.124 . . . . 0.0 112.553 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.67 -21.31 17.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.726 1.611 . . . . 0.0 114.354 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -126.08 2.19 7.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.657 1.583 . . . . 0.0 112.945 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.8 t0 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.559 176.816 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.45 24.82 55.85 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.838 1.209 . . . . 0.0 114.843 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 p -141.95 159.03 43.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.172 1.486 . . . . 0.0 113.825 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.4 pt -132.96 168.49 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 127.015 2.126 . . . . 0.0 110.046 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -79.54 159.29 26.95 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.309 1.052 . . . . 0.0 113.049 169.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.31 -26.32 67.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.38 1.072 . . . . 0.0 112.722 170.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.33 -41.35 73.34 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.311 1.044 . . . . 0.0 112.181 172.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.77 -18.06 61.02 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.19 -60.67 2.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.585 1.154 . . . . 0.0 111.623 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -30.17 77.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 122.096 -0.377 . . . . 0.0 113.263 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -64.37 -40.4 95.77 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.014 0.907 . . . . 0.0 111.145 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.325 1.3 m -74.92 -34.04 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.318 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.5 mtp -56.99 -41.11 77.85 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.922 1.692 . . . . 0.0 112.033 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -67.44 -22.11 65.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.295 1.038 . . . . 0.0 112.889 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -68.75 -34.63 75.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.163 0.892 . . . . 0.0 111.815 169.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.09 1.85 19.79 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.299 1.04 . . . . 0.0 113.069 168.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.96 82.27 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.561 1.553 . . . . 0.0 115.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.26 120.84 26.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.16 1.48 . . . . 0.0 110.12 172.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -103.94 92.77 4.7 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.543 0.737 . . . . 0.0 110.96 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.14 161.07 44.12 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.755 2.97 . . . . 0.0 112.225 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 t -91.73 162.75 14.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.651 0.78 . . . . 0.0 112.692 170.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.03 -42.92 99.89 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.692 -1.255 . . . . 0.0 113.052 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.21 78.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.253 0.621 . . . . 0.0 112.325 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.33 -43.2 82.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.1 1.36 . . . . 0.0 111.657 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.08 -46.57 89.14 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.883 -0.511 . . . . 0.0 111.205 171.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -59.86 -41.52 91.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.267 0.627 . . . . 0.0 112.224 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.99 -39.1 93.37 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.032 0.933 . . . . 0.0 113.141 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.9 mtm -72.54 -41.0 66.3 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.065 0.848 . . . . 0.0 112.191 174.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.8 -28.39 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.041 0.937 . . . . 0.0 111.654 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.905 1.23 . . . . 0.0 112.866 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.95 -48.98 7.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.134 0.974 . . . . 0.0 112.375 172.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.7 t -67.42 -37.89 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.91 1.284 . . . . 0.0 113.207 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -118.23 51.16 1.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.342 1.857 . . . . 0.0 111.749 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.83 -22.28 62.04 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.08 -1.012 . . . . 0.0 113.4 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -77.42 -16.68 58.69 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.779 1.232 . . . . 0.0 113.897 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.99 29.76 70.5 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.533 1.063 . . . . 0.0 114.574 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -76.56 -22.23 54.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.161 1.384 . . . . 0.0 113.687 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.93 15.38 72.81 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.597 1.57 . . . . 0.0 115.326 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -132.7 162.18 32.06 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.092 1.446 . . . . 0.0 113.987 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 mt -137.7 135.19 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.445 2.298 . . . . 0.0 108.209 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.2 157.16 18.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.207 0.603 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -56.59 9.79 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 117.944 -1.026 . . . . 0.0 113.546 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.39 -23.26 32.67 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 121.865 1.71 . . . . 0.0 113.624 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.5 -36.72 65.8 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.792 0.724 . . . . 0.0 111.568 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -63.72 -40.88 97.83 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.493 -0.754 . . . . 0.0 112.249 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.38 -20.79 63.42 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -43.15 97.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.293 0.951 . . . . 0.0 111.872 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -76.81 -35.17 57.77 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.943 -1.098 . . . . 0.0 111.675 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.01 -34.53 77.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.215 0.606 . . . . 0.0 112.004 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.454 1.102 . . . . 0.0 112.72 173.429 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.96 -32.65 74.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.964 0.905 . . . . 0.0 112.135 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.63 -47.57 21.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.804 1.242 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.95 -47.49 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.383 1.473 . . . . 0.0 110.427 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -62.2 -38.89 90.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.108 0.563 . . . . 0.0 112.091 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -75.76 -39.26 57.43 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -36.69 78.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.409 1.083 . . . . 0.0 112.286 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.69 -42.25 86.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.018 -1.051 . . . . 0.0 112.254 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -60.64 -25.45 66.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.069 -1.019 . . . . 0.0 113.402 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -66.38 -22.91 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.934 1.694 . . . . 0.0 113.139 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.413 ' CE2' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -99.63 -25.95 14.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.212 1.405 . . . . 0.0 113.429 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.715 1.206 . . . . 0.0 110.299 174.114 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -151.16 162.02 41.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.363 1.065 . . . . 0.0 112.427 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.3 mt -125.77 154.6 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.482 1.913 . . . . 0.0 109.421 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -75.67 143.22 42.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 119.885 -1.759 . . . . 0.0 111.44 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.19 -42.02 65.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.718 0.807 . . . . 0.0 112.758 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.33 80.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.614 0.766 . . . . 0.0 112.31 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -71.87 -42.94 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.51 0.724 . . . . 0.0 112.225 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.05 -39.6 75.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.046 0.839 . . . . 0.0 111.125 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -60.87 -40.32 92.54 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.01 0.823 . . . . 0.0 111.931 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.12 -63.31 1.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.809 0.732 . . . . 0.0 110.65 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.413 HG21 ' CE2' ' A' ' 92' ' ' PHE . 12.2 p -65.28 -36.57 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.197 0.908 . . . . 0.0 113.129 -171.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.0 mmt -67.97 -14.76 63.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.4 p -117.69 -2.71 11.37 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.245 1.018 . . . . 0.0 113.715 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -103.27 -38.53 7.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.677 1.591 . . . . 0.0 113.044 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.4 mt -126.84 139.7 52.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.809 1.244 . . . . 0.0 111.426 -168.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.59 -150.7 40.31 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 114.443 0.537 . . . . 0.0 114.443 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.1 49.2 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.855 1.662 . . . . 0.0 113.913 -172.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -4.47 108.1 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 130.841 3.657 . . . . 0.0 115.246 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.62 148.83 47.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.806 0.842 . . . . 0.0 112.0 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -68.81 161.18 29.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.914 0.886 . . . . 0.0 110.33 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.23 -45.21 80.05 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.695 -1.253 . . . . 0.0 114.262 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -76.05 -27.74 57.39 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.016 -1.053 . . . . 0.0 112.53 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -72.3 -41.8 66.2 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 111.729 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.2 -35.91 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.968 0.907 . . . . 0.0 111.503 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.46 -38.12 86.64 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.196 -0.94 . . . . 0.0 111.496 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.94 -33.81 67.38 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.086 0.857 . . . . 0.0 112.118 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.0 ttm -66.69 -49.31 66.53 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.15 0.58 . . . . 0.0 110.647 173.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.16 -42.63 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.918 0.781 . . . . 0.0 111.026 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -53.41 -34.75 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.801 1.24 . . . . 0.0 113.713 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -107.63 -22.55 12.47 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.03 -31.31 27.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.902 0.881 . . . . 0.0 113.043 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 125.242 1.417 . . . . 0.0 111.593 177.132 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 N-CA-C 114.628 0.611 . . . . 0.0 114.628 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.47 84.41 2.27 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.374 1.469 . . . . 0.0 109.313 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.74 109.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.898 1.279 . . . . 0.0 111.125 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -85.67 91.85 8.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 122.289 1.042 . . . . 0.0 110.379 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -64.81 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.697 -1.138 . . . . 0.0 112.917 -176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.2 -36.43 77.26 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.639 1.109 . . . . 0.0 111.962 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -73.76 -40.23 63.64 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.303 -0.873 . . . . 0.0 110.907 168.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.08 -41.13 95.31 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.342 1.057 . . . . 0.0 113.62 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.53 -41.92 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.315 0.961 . . . . 0.0 111.369 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.69 -43.56 93.14 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.124 0.57 . . . . 0.0 111.324 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -62.44 -47.69 82.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.589 -0.694 . . . . 0.0 112.526 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.8 mtm -63.09 -37.76 88.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.068 0.547 . . . . 0.0 112.056 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -177.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 120.886 0.374 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.16 -43.41 78.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.026 1.33 . . . . 0.0 111.69 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.19 -28.66 69.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.8 m -99.21 -30.41 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.482 1.113 . . . . 0.0 112.178 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -55.05 -39.79 69.58 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.396 1.078 . . . . 0.0 110.855 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 110.37 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.52 -38.42 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 120.943 -1.098 . . . . 0.0 112.164 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.9 mt -58.52 -43.87 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.021 0.929 . . . . 0.0 110.748 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.3 -39.24 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.363 1.065 . . . . 0.0 111.075 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -58.31 -45.96 87.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.493 1.117 . . . . 0.0 111.871 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -67.84 -44.34 77.43 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.17 0.988 . . . . 0.0 111.544 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.38 81.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.463 0.705 . . . . 0.0 112.801 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -66.55 -52.31 47.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.221 0.608 . . . . 0.0 112.216 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -63.76 -34.1 77.14 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.047 -1.033 . . . . 0.0 112.298 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.74 -36.55 76.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.867 1.212 . . . . 0.0 111.69 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.02 -41.52 70.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 171.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 CA--C 1.54 0.588 0 O-C-N 121.465 -0.772 . . . . 0.0 111.89 173.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -70.39 -38.77 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.844 0.858 . . . . 0.0 112.421 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -64.18 -47.11 81.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.723 0.809 . . . . 0.0 110.166 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.01 -46.31 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.153 0.981 . . . . 0.0 110.808 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.24 74.36 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.595 1.089 . . . . 0.0 113.284 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -68.38 -44.4 75.24 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.967 -1.083 . . . . 0.0 111.509 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -63.05 -37.29 86.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 112.074 171.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -60.18 -46.8 88.49 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 110.608 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.99 -45.25 93.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.911 0.884 . . . . 0.0 112.379 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.29 96.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -75.75 -46.6 30.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.821 0.737 . . . . 0.0 112.594 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.3 p -63.75 -17.09 62.68 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.8 -20.73 37.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.301 1.44 . . . . 0.0 113.967 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -126.4 -2.42 6.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.627 1.571 . . . . 0.0 113.083 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.8 t0 . . . . . 0 CA--C 1.547 0.86 0 O-C-N 120.967 -1.083 . . . . 0.0 110.641 174.525 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.9 25.1 39.03 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.66 1.124 . . . . 0.0 114.273 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -140.84 158.49 43.89 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 119.24 1.52 . . . . 0.0 114.138 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -132.42 171.71 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.845 2.058 . . . . 0.0 110.68 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -87.34 155.37 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.242 1.02 . . . . 0.0 112.967 170.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.48 -30.81 68.8 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 0.0 112.668 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.23 -28.18 65.06 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -82.05 -17.14 47.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.843 1.257 . . . . 0.0 113.578 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.51 -60.26 2.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.672 1.189 . . . . 0.0 111.436 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.5 -25.59 71.5 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.966 -0.459 . . . . 0.0 113.673 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.46 -43.03 82.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.912 0.885 . . . . 0.0 110.896 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.287 1.4 m -73.79 -28.49 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.899 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.3 mtp -62.46 -40.78 97.74 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.971 1.714 . . . . 0.0 111.863 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -59.22 -29.51 67.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.639 0.775 . . . . 0.0 112.51 172.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -66.89 -20.56 65.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.5 -1.03 57.88 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.963 1.305 . . . . 0.0 112.604 168.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.95 90.21 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.054 1.311 . . . . 0.0 114.636 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -92.23 120.96 33.3 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.736 1.268 . . . . 0.0 109.88 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.44 77.37 4.26 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 121.142 -0.974 . . . . 0.0 110.687 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -63.81 153.23 76.73 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.57 2.847 . . . . 0.0 112.759 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.1 m -78.68 152.28 31.73 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.304 1.041 . . . . 0.0 111.163 169.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.57 -36.65 69.56 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.893 -1.129 . . . . 0.0 113.825 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.551 0.74 . . . . 0.0 112.802 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.73 -45.11 72.35 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.411 0.685 . . . . 0.0 110.912 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.2 mt -58.2 -47.88 82.08 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.302 0.641 . . . . 0.0 111.3 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -63.26 -39.21 93.97 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.86 -42.54 97.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.971 0.805 . . . . 0.0 112.15 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.11 -39.68 93.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.487 -0.758 . . . . 0.0 111.948 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.03 -31.4 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.427 -0.796 . . . . 0.0 111.994 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.69 -28.55 69.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 120.352 1.433 . . . . 0.0 112.807 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -80.59 -47.25 14.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.576 0.75 . . . . 0.0 112.244 170.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 t -73.93 -49.31 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.826 1.251 . . . . 0.0 113.462 -174.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -95.66 48.43 1.14 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 112.104 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -24.27 65.31 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.077 -1.014 . . . . 0.0 113.265 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -78.76 -13.19 59.95 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.868 1.267 . . . . 0.0 113.942 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.02 73.41 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.717 1.151 . . . . 0.0 114.782 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -81.32 -15.69 54.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.744 1.217 . . . . 0.0 113.821 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.92 20.32 76.22 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.737 1.16 . . . . 0.0 114.379 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.5 p -135.03 160.04 39.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.88 1.272 . . . . 0.0 113.858 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.3 mt -139.86 133.98 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.198 2.199 . . . . 0.0 108.41 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 155.9 19.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.974 170.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -47.37 -54.55 21.02 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.21 -23.55 33.19 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.106 1.871 . . . . 0.0 113.496 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.77 -36.73 65.12 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.489 -0.757 . . . . 0.0 111.549 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -62.48 -41.04 98.52 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.442 -0.786 . . . . 0.0 111.755 171.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.34 -21.62 64.18 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -35.88 77.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.085 0.857 . . . . 0.0 112.551 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.51 -33.13 23.61 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.3 0.5 . . . . 0.0 112.101 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.81 -18.87 65.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.296 1.039 . . . . 0.0 113.423 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 CA-C-N 118.928 0.785 . . . . 0.0 112.768 168.13 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -66.08 -32.99 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.577 -0.702 . . . . 0.0 112.032 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -47.46 76.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.689 0.796 . . . . 0.0 111.042 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.02 -47.25 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 124.628 1.171 . . . . 0.0 110.947 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -56.97 -46.9 81.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.195 0.907 . . . . 0.0 111.799 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -70.63 -40.25 73.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.528 0.604 . . . . 0.0 112.557 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -35.74 79.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.824 0.849 . . . . 0.0 112.756 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.95 -43.92 77.95 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.148 -0.97 . . . . 0.0 112.159 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -59.28 -27.98 66.34 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 113.005 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.7 t -60.3 -32.76 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.269 1.428 . . . . 0.0 112.583 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 108' ' ' VAL . 15.6 m-85 -93.79 -9.9 35.96 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.4 t0 . . . . . 0 N--CA 1.474 0.744 0 CA-C-N 119.479 1.036 . . . . 0.0 110.54 -178.646 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 N-CA-C 114.3 0.48 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -150.51 169.0 22.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.679 1.591 . . . . 0.0 110.171 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -129.96 139.32 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.556 1.542 . . . . 0.0 109.051 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -67.03 140.32 57.67 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.698 -1.252 . . . . 0.0 111.007 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.17 89.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.948 -1.095 . . . . 0.0 112.959 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.47 72.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.516 0.726 . . . . 0.0 112.87 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -73.11 -42.3 63.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 111.737 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.63 -41.69 79.11 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.486 0.584 . . . . 0.0 110.832 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -60.01 -39.68 86.64 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.945 0.793 . . . . 0.0 112.058 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -56.66 -63.33 1.24 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.961 0.8 . . . . 0.0 110.644 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' CE2' ' A' ' 92' ' ' PHE . 14.6 p -63.51 -36.83 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.053 0.842 . . . . 0.0 112.776 -172.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -68.0 -14.79 63.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -120.46 -3.12 9.92 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.499 1.12 . . . . 0.0 113.882 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -99.2 -33.94 10.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.438 1.895 . . . . 0.0 112.64 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt -128.28 160.84 30.9 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.421 1.488 . . . . 0.0 111.123 -169.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.79 -141.28 32.97 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.688 0.605 . . . . 0.0 114.324 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.55 -18.0 61.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.027 1.331 . . . . 0.0 112.742 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? 62.24 106.57 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.424 2.689 . . . . 0.0 112.745 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.51 153.47 42.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.705 0.802 . . . . 0.0 111.822 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.86 159.86 27.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.735 0.814 . . . . 0.0 110.65 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -55.07 -41.41 71.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.891 1.276 . . . . 0.0 114.153 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.72 -32.17 35.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.294 -0.879 . . . . 0.0 112.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -65.83 -41.74 91.4 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.202 -0.936 . . . . 0.0 111.343 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.91 -34.42 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.252 -0.905 . . . . 0.0 112.559 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -69.98 -34.33 73.23 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.977 -1.077 . . . . 0.0 112.36 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.77 -25.9 68.39 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 112.486 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -68.38 -55.23 12.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.554 0.616 . . . . 0.0 109.751 170.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.25 -34.67 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.575 0.625 . . . . 0.0 111.429 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -49.16 -42.56 40.07 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.365 . . . . 0.0 113.11 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -42.93 9.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.337 0.655 . . . . 0.0 111.844 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.4 80.97 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.997 1.719 . . . . 0.0 113.327 -168.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.362 1.465 . . . . 0.0 111.325 174.44 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.18 0 N-CA-C 114.17 0.428 . . . . 0.0 114.17 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.49 86.17 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.178 1.391 . . . . 0.0 109.915 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.45 120.63 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 O-C-N 121.815 -0.553 . . . . 0.0 110.047 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -97.72 90.0 4.83 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.42 1.105 . . . . 0.0 110.87 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -61.62 -28.51 69.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.509 -1.223 . . . . 0.0 113.501 -174.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -26.44 67.99 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.129 0.877 . . . . 0.0 112.534 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.59 -41.95 15.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.138 0.975 . . . . 0.0 111.246 168.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.71 -41.15 98.99 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.093 0.957 . . . . 0.0 113.145 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.6 p -59.73 -42.4 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.543 1.137 . . . . 0.0 112.201 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.57 -38.59 87.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.981 0.912 . . . . 0.0 111.727 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.0 ttp -67.82 -45.66 74.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.853 0.861 . . . . 0.0 112.348 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.5 -48.06 81.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.05 0.54 . . . . 0.0 111.874 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.765 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.9 tp60 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.27 -46.47 85.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.771 1.228 . . . . 0.0 112.239 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -66.8 -26.2 66.83 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.8 m -98.4 -31.75 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.285 1.034 . . . . 0.0 112.316 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 55.5 m -57.3 -40.41 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.576 1.15 . . . . 0.0 110.848 170.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.17 81.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 0.0 110.351 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.05 -39.52 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.0 0.92 . . . . 0.0 111.965 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.8 mt -59.19 -44.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.549 1.139 . . . . 0.0 111.339 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.19 -37.73 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.052 0.941 . . . . 0.0 110.095 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.64 -33.8 76.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.093 -1.004 . . . . 0.0 112.824 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -65.49 -54.4 28.77 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.943 0.792 . . . . 0.0 110.603 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.32 78.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.331 1.053 . . . . 0.0 113.008 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.26 -53.29 46.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -26.85 61.3 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.92 -1.113 . . . . 0.0 111.818 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 32.5 tpt85 -61.5 -40.87 96.16 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.76 0.709 . . . . 0.0 110.944 169.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.22 -41.28 85.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.987 0.915 . . . . 0.0 112.963 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.468 0.434 0 CA-C-N 118.655 0.661 . . . . 0.0 111.204 172.623 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -64.56 -46.67 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.85 1.26 . . . . 0.0 112.128 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.35 -37.88 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.042 0.837 . . . . 0.0 112.493 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mt -64.72 -45.06 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.017 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.31 74.92 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.504 1.047 . . . . 0.0 113.006 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.1 -47.92 82.49 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.27 -0.894 . . . . 0.0 111.382 171.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -70.13 -34.4 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.179 0.592 . . . . 0.0 112.462 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -54.49 -51.08 66.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.619 1.568 . . . . 0.0 110.944 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.38 -53.5 51.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.233 0.613 . . . . 0.0 111.656 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.18 72.28 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.59 -49.13 22.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.901 0.88 . . . . 0.0 111.597 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -61.21 -26.5 67.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 112.396 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.85 -22.61 26.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.398 1.479 . . . . 0.0 114.047 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -119.04 2.77 11.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.981 1.712 . . . . 0.0 113.169 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 125.045 1.338 . . . . 0.0 110.662 172.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.77 25.03 57.2 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.054 -1.029 . . . . 0.0 113.528 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.9 p -142.1 161.23 38.52 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.273 1.429 . . . . 0.0 112.612 -172.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 pt -134.61 173.13 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.285 1.834 . . . . 0.0 110.588 172.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.5 p -85.43 158.24 20.26 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.262 1.029 . . . . 0.0 112.638 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.8 p -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.434 1.094 . . . . 0.0 112.369 170.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.89 -44.51 63.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.709 1.204 . . . . 0.0 112.565 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.53 -13.95 60.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.29 -58.2 4.91 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.807 1.243 . . . . 0.0 111.617 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -27.92 73.24 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 121.356 -0.84 . . . . 0.0 113.196 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -67.91 -41.3 82.89 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.394 1.097 . . . . 0.0 111.388 172.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.86 -40.47 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.595 1.158 . . . . 0.0 111.116 173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.5 mtp -62.38 -45.03 95.0 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 111.892 172.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -64.22 -30.94 71.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.181 0.993 . . . . 0.0 112.638 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -63.76 -29.41 70.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.124 0.97 . . . . 0.0 112.769 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.19 7.39 25.27 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.854 1.661 . . . . 0.0 113.37 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.7 86.05 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.457 1.504 . . . . 0.0 115.357 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -94.96 116.83 29.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.683 1.242 . . . . 0.0 110.294 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -102.41 94.58 5.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 121.491 -0.756 . . . . 0.0 110.863 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.1 156.91 55.17 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.404 3.403 . . . . 0.0 113.368 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.7 m -74.94 147.04 41.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 110.533 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.51 -35.71 81.35 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.371 -1.455 . . . . 0.0 113.292 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.51 72.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.34 -43.57 69.98 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.611 0.764 . . . . 0.0 111.222 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.66 -47.72 79.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.568 0.747 . . . . 0.0 111.176 171.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.0 -42.53 90.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.366 0.667 . . . . 0.0 112.117 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.21 -44.62 87.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.761 0.824 . . . . 0.0 112.549 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mtm -64.63 -39.72 94.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.61 -31.8 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.444 -0.785 . . . . 0.0 111.427 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.4 -29.16 69.83 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.451 1.478 . . . . 0.0 112.887 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -74.97 -48.25 25.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.174 0.897 . . . . 0.0 111.93 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -77.43 -49.77 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -172.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -96.58 50.6 1.14 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.428 1.491 . . . . 0.0 112.265 -176.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.88 65.29 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.151 -0.968 . . . . 0.0 113.178 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.01 -13.76 59.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.908 1.283 . . . . 0.0 113.95 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.84 72.88 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.698 1.142 . . . . 0.0 114.791 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.97 -15.82 56.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.642 1.177 . . . . 0.0 113.916 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.34 18.34 74.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.921 1.248 . . . . 0.0 114.383 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.3 p -134.44 160.29 38.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.051 1.34 . . . . 0.0 113.787 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -139.9 136.5 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.051 2.14 . . . . 0.0 109.423 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.57 158.15 16.6 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.313 0.645 . . . . 0.0 111.622 171.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -41.95 -53.35 8.27 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.43 -28.86 26.34 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.878 1.718 . . . . 0.0 114.222 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.52 -31.94 67.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.208 -0.933 . . . . 0.0 112.418 173.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.81 -47.1 70.02 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.555 -0.716 . . . . 0.0 111.104 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.77 73.1 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.154 -0.966 . . . . 0.0 112.197 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -51.93 -52.37 50.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.738 1.615 . . . . 0.0 112.069 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.9 ptp -75.49 -32.41 60.56 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.658 -0.651 . . . . 0.0 112.239 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.2 mmm -66.9 -39.92 87.58 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.803 -0.561 . . . . 0.0 111.71 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.68 0 O-C-N 121.583 -0.698 . . . . 0.0 111.903 169.567 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 tm-20 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.8 -45.26 93.47 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.196 0.998 . . . . 0.0 111.597 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.99 -46.53 84.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.808 1.243 . . . . 0.0 111.548 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.52 -47.63 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.439 1.496 . . . . 0.0 110.479 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -68.12 -35.19 77.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -65.76 -47.38 75.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.484 1.114 . . . . 0.0 111.652 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.21 -26.11 67.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.797 1.239 . . . . 0.0 113.965 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.34 -41.0 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.928 -1.108 . . . . 0.0 112.436 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -61.2 -26.35 67.66 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 m -72.29 -15.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -98.49 -25.24 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.899 1.28 . . . . 0.0 113.071 171.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 175.007 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.363 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -146.15 162.76 37.27 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.501 1.52 . . . . 0.0 109.777 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.6 mt -120.75 150.69 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 125.736 1.614 . . . . 0.0 108.953 174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.9 m -75.31 139.56 42.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.42 -1.425 . . . . 0.0 111.232 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.39 -42.08 81.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.163 -0.961 . . . . 0.0 112.85 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.0 -29.69 70.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -74.69 -43.11 56.81 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.39 -0.819 . . . . 0.0 111.852 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 tp -69.55 -37.22 76.96 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.149 0.886 . . . . 0.0 111.415 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -62.84 -35.3 79.49 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.139 0.881 . . . . 0.0 111.805 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -62.39 -65.28 0.71 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.608 169.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.25 -40.35 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 121.079 1.763 . . . . 0.0 112.733 -174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 32.9 mmt -75.87 -14.35 60.28 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.3 p -117.44 -4.31 11.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.486 1.114 . . . . 0.0 113.473 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -101.82 -28.73 12.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.0 1.72 . . . . 0.0 113.352 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.95 142.54 47.74 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.128 1.371 . . . . 0.0 110.753 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.19 -147.15 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 114.896 0.719 . . . . 0.0 114.896 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.65 44.1 0.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.704 1.602 . . . . 0.0 113.598 -175.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -3.51 108.17 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 131.211 3.804 . . . . 0.0 114.948 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.57 143.25 56.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.32 161.21 22.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.573 1.149 . . . . 0.0 110.867 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -48.72 -46.98 41.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.83 1.652 . . . . 0.0 114.657 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -84.6 -23.79 29.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.07 0.948 . . . . 0.0 113.106 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -72.76 -41.45 65.06 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.25 1.42 . . . . 0.0 111.71 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.02 -35.75 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.493 0.717 . . . . 0.0 111.088 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -64.93 -39.73 93.97 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.705 -0.622 . . . . 0.0 111.441 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -59.12 -37.4 77.14 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 0.0 111.429 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 ttm -67.39 -40.97 85.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.958 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.35 -44.54 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.011 1.278 . . . . 0.0 110.34 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -57.31 -38.93 74.77 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.949 1.299 . . . . 0.0 112.68 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -47.12 49.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.894 1.277 . . . . 0.0 112.898 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.14 -28.17 22.64 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -168.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.4 t0 . . . . . 0 N--CA 1.478 0.958 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 179.637 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.312 0 N-CA-C 113.538 0.175 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.17 86.33 2.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.252 1.821 . . . . 0.0 108.693 -171.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.95 104.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.642 1.177 . . . . 0.0 110.817 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -84.72 82.7 8.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 122.145 0.974 . . . . 0.0 111.311 -169.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -61.3 -29.63 69.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.77 -170.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.28 -39.53 90.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.776 1.626 . . . . 0.0 112.555 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -81.18 -33.47 33.0 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.474 0.71 . . . . 0.0 112.088 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.7 -40.63 95.69 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.403 -0.811 . . . . 0.0 112.38 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.6 t -51.12 -60.4 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.54 1.136 . . . . 0.0 109.174 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.08 -23.67 60.57 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.622 -167.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.3 ttp -70.52 -46.58 63.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.518 1.127 . . . . 0.0 111.31 168.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.9 ttp -65.86 -33.61 76.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.641 1.176 . . . . 0.0 112.139 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 125.936 1.694 . . . . 0.0 115.126 176.482 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -51.03 -46.06 61.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.048 1.739 . . . . 0.0 113.059 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.89 -26.47 64.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -96.77 -29.85 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.369 1.068 . . . . 0.0 111.8 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 36.7 m -58.82 -40.77 85.12 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.701 1.201 . . . . 0.0 110.848 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.88 83.77 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.726 -0.609 . . . . 0.0 110.328 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.77 -43.55 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.624 -0.672 . . . . 0.0 111.441 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 11.8 mt -57.54 -43.56 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.788 0.835 . . . . 0.0 111.668 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.8 mt -68.99 -35.69 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.662 0.785 . . . . 0.0 110.468 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.39 -41.81 98.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.993 -1.067 . . . . 0.0 112.441 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -58.32 -49.06 78.53 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.198 0.999 . . . . 0.0 110.302 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.13 85.34 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.616 1.166 . . . . 0.0 113.059 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.4 t80 -69.84 -44.76 69.25 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.439 -0.788 . . . . 0.0 113.089 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -62.9 -26.82 68.98 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.143 -0.973 . . . . 0.0 112.246 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -47.46 86.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.379 1.072 . . . . 0.0 110.88 169.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -68.79 -34.83 76.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.235 1.014 . . . . 0.0 113.038 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.541 0.6 0 O-C-N 121.391 -0.818 . . . . 0.0 112.471 173.574 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.0 -45.19 64.41 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.168 0.987 . . . . 0.0 111.948 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -60.89 -45.46 94.49 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.47 -45.64 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.54 74.19 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.973 1.26 . . . . 0.0 113.17 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.68 -44.97 84.61 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.085 -1.01 . . . . 0.0 111.658 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -66.51 -36.45 82.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.733 0.813 . . . . 0.0 112.272 172.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.88 -49.43 75.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.257 1.423 . . . . 0.0 110.327 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.1 -54.46 41.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.466 0.706 . . . . 0.0 111.748 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.05 74.82 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -72.91 -49.78 27.61 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.919 . . . . 0.0 111.419 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -61.54 -25.93 67.62 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.416 1.086 . . . . 0.0 112.725 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.35 -22.86 21.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.404 1.482 . . . . 0.0 114.002 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -118.29 0.74 11.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.106 1.762 . . . . 0.0 112.662 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.7 t0 . . . . . 0 CA--C 1.548 0.884 0 O-C-N 120.721 -1.237 . . . . 0.0 110.271 172.127 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.5 p30 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 30.68 28.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.19 1.376 . . . . 0.0 114.386 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -138.35 160.85 38.45 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.823 1.312 . . . . 0.0 114.258 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 pt -137.83 171.33 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.229 2.212 . . . . 0.0 110.639 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.8 p -82.51 159.3 22.87 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.365 1.078 . . . . 0.0 112.855 169.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.3 p -59.59 -29.48 67.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.543 1.137 . . . . 0.0 112.551 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -67.18 -40.67 86.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.681 1.192 . . . . 0.0 112.739 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -77.23 -15.19 59.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.759 1.224 . . . . 0.0 114.279 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -57.87 5.52 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.621 1.168 . . . . 0.0 111.583 -177.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.39 -22.08 74.58 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.507 -0.746 . . . . 0.0 113.965 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -73.6 -42.13 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.798 1.239 . . . . 0.0 111.135 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.93 -38.36 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.82 1.248 . . . . 0.0 110.929 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.5 mtp -63.34 -44.01 96.09 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.071 -1.018 . . . . 0.0 112.287 170.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -65.93 -27.15 67.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -62.16 -31.28 71.76 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.817 0.735 . . . . 0.0 112.265 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -88.03 4.72 44.1 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.186 1.794 . . . . 0.0 113.84 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.24 -6.81 62.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.518 1.533 . . . . 0.0 116.022 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.45 131.87 35.21 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.206 1.503 . . . . 0.0 109.876 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -123.7 68.77 43.41 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.795 -166.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -66.66 155.04 72.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.02 3.147 . . . . 0.0 112.993 -173.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.6 m -75.44 154.0 37.31 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.699 1.2 . . . . 0.0 111.761 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.47 -43.34 97.04 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.294 -1.504 . . . . 0.0 113.235 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.19 75.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.485 -0.759 . . . . 0.0 112.623 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.95 -42.59 84.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 111.625 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.36 -47.39 85.59 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.867 0.867 . . . . 0.0 111.177 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.51 -40.22 96.04 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.469 0.577 . . . . 0.0 112.004 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.69 -38.22 90.31 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.102 0.865 . . . . 0.0 112.521 176.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.7 mtm -67.37 -40.54 85.74 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.365 -0.835 . . . . 0.0 112.335 170.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.05 -31.46 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.476 1.035 . . . . 0.0 111.612 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.8 -30.2 69.91 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.768 1.167 . . . . 0.0 112.383 173.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -84.04 -48.65 9.69 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.989 1.315 . . . . 0.0 112.495 172.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.2 t -73.49 -41.43 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.768 1.627 . . . . 0.0 113.11 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -108.57 47.81 0.89 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.016 1.727 . . . . 0.0 112.248 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.01 63.48 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.15 0.4 57.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 114.167 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.11 40.86 71.67 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 120.875 -1.14 . . . . 0.0 115.426 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -76.37 -23.36 54.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.224 1.41 . . . . 0.0 113.296 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.77 15.54 77.99 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.681 1.61 . . . . 0.0 114.346 -169.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -138.39 160.6 39.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 113.538 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.98 137.14 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.173 2.189 . . . . 0.0 108.748 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.58 155.6 18.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.566 0.746 . . . . 0.0 111.378 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -44.54 -52.43 17.64 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.02 -29.95 26.54 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 121.986 1.791 . . . . 0.0 113.822 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.2 -31.26 65.72 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.318 -0.863 . . . . 0.0 111.672 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -66.74 -46.77 74.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.614 0.766 . . . . 0.0 111.247 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.92 -35.19 76.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.398 0.999 . . . . 0.0 112.275 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -40.25 63.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.032 1.333 . . . . 0.0 112.56 171.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 ptp -83.92 -33.38 24.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.31 0.959 . . . . 0.0 113.339 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.4 -32.97 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.619 -0.676 . . . . 0.0 112.784 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.796 0 CA-C-N 118.785 0.721 . . . . 0.0 112.211 171.739 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.4 -44.2 65.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.979 0.912 . . . . 0.0 111.465 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.24 -44.54 75.45 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.377 0.671 . . . . 0.0 112.156 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.71 -44.5 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 123.944 0.898 . . . . 0.0 110.524 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -58.83 -45.95 88.83 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.289 0.95 . . . . 0.0 112.191 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -69.89 -39.13 76.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.137 0.88 . . . . 0.0 112.717 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.51 65.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.719 1.207 . . . . 0.0 113.434 173.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -79.52 -42.18 25.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.046 -1.034 . . . . 0.0 110.826 167.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -60.38 -26.38 66.59 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.261 1.024 . . . . 0.0 113.761 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.6 m -68.8 -25.98 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE1' HG22 ' A' ' 108' ' ' VAL . 14.9 m-85 -90.33 -26.24 20.06 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.458 1.103 . . . . 0.0 112.718 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.6 t0 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 110.528 174.45 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.347 0 N-CA-C 114.283 0.473 . . . . 0.0 114.283 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -147.07 165.47 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.82 1.248 . . . . 0.0 111.136 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.0 mt -125.39 153.14 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.259 1.823 . . . . 0.0 109.114 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.77 142.83 40.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.076 -1.64 . . . . 0.0 110.654 172.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.88 74.7 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.037 -1.039 . . . . 0.0 112.958 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.18 -27.17 68.51 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.89 -44.12 56.31 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.975 0.91 . . . . 0.0 111.576 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.83 -39.06 80.21 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.596 0.634 . . . . 0.0 111.107 173.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -61.3 -38.84 88.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.304 0.642 . . . . 0.0 111.872 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.24 -64.66 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.412 0.551 . . . . 0.0 110.509 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' CE1' ' A' ' 92' ' ' PHE . 11.8 p -62.38 -38.2 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.908 0.776 . . . . 0.0 112.345 -171.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.1 mmt -69.34 -15.51 63.34 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -115.97 0.17 12.97 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.016 1.326 . . . . 0.0 113.693 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -112.72 -31.88 6.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.074 1.749 . . . . 0.0 113.182 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.8 mt -132.64 148.44 52.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.272 1.429 . . . . 0.0 111.036 -171.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.29 -140.23 30.56 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.976 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.42 -7.66 53.67 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt 50.55 93.47 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.067 2.547 . . . . 0.0 113.908 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.38 151.28 28.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.34 1.056 . . . . 0.0 112.061 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 159.86 24.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.802 0.841 . . . . 0.0 110.601 170.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.01 -39.22 81.2 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -77.63 -33.98 53.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.361 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.52 -40.41 89.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.836 1.654 . . . . 0.0 112.092 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.53 -31.92 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 111.971 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -37.23 84.56 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.633 -1.292 . . . . 0.0 111.402 174.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.46 -33.87 70.22 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.704 0.802 . . . . 0.0 111.548 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.7 ttm -66.75 -51.18 58.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.743 0.817 . . . . 0.0 110.945 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.02 -43.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.986 0.812 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -65.18 -20.61 66.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.435 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -110.55 -24.75 10.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.33 32.78 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.181 0.993 . . . . 0.0 113.386 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.14 -0.975 . . . . 0.0 110.951 174.321 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 CA-C-O 119.777 -0.457 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.53 91.33 3.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.095 1.358 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.2 104.02 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.791 1.237 . . . . 0.0 110.874 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -83.16 96.43 8.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.406 1.098 . . . . 0.0 110.981 -177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.57 -26.13 65.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.96 -174.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -68.96 -31.4 70.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.192 1.36 . . . . 0.0 112.731 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.91 -43.99 42.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.462 -0.774 . . . . 0.0 110.44 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -64.29 -43.83 93.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.746 1.218 . . . . 0.0 113.985 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.01 -50.76 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.609 1.164 . . . . 0.0 111.145 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.9 -26.07 63.06 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.3 ttp -69.27 -46.96 65.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.668 0.667 . . . . 0.0 111.412 168.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -64.91 -43.59 92.33 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.392 0.542 . . . . 0.0 112.441 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -172.633 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -51.63 -42.58 62.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.797 1.639 . . . . 0.0 112.308 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -69.6 -24.61 63.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.8 m -104.43 -28.25 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.671 1.189 . . . . 0.0 112.588 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.9 m -59.09 -38.21 78.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.145 0.978 . . . . 0.0 110.993 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.74 -40.4 75.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 110.816 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.17 -39.77 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.859 -1.15 . . . . 0.0 111.814 -175.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.3 mt -58.94 -41.46 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.212 1.005 . . . . 0.0 111.368 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.1 mt -71.38 -38.8 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.881 0.872 . . . . 0.0 110.815 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.81 -41.16 86.12 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.196 0.907 . . . . 0.0 111.814 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -58.58 -53.93 52.83 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.843 0.747 . . . . 0.0 111.274 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.74 83.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.116 0.966 . . . . 0.0 112.901 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.98 -53.69 29.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.71 -30.34 70.69 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.804 -0.56 . . . . 0.0 111.679 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -51.29 70.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.984 0.914 . . . . 0.0 111.062 169.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.87 -35.19 79.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.027 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.32 -43.93 69.29 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.119 0.968 . . . . 0.0 112.218 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -61.24 -44.18 97.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.663 0.665 . . . . 0.0 111.219 172.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.17 -42.41 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.249 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.05 78.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.009 1.277 . . . . 0.0 112.756 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.5 -44.8 81.58 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.853 -1.155 . . . . 0.0 111.786 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -65.56 -35.1 79.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.563 0.745 . . . . 0.0 112.187 172.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.37 -50.69 73.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.607 1.563 . . . . 0.0 111.339 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.61 -49.75 72.07 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.603 0.761 . . . . 0.0 111.99 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.34 72.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -75.51 -51.52 12.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.259 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -63.33 -17.52 62.65 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.4 tp -55.04 -22.91 17.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.607 1.563 . . . . 0.0 114.268 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -126.0 6.59 7.26 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.44 1.496 . . . . 0.0 113.26 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 124.83 1.252 . . . . 0.0 110.29 173.427 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 25.49 54.23 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 120.931 -1.106 . . . . 0.0 113.765 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 p -141.12 159.04 43.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.033 1.333 . . . . 0.0 112.502 -174.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.81 165.94 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.1 1.76 . . . . 0.0 110.001 172.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -79.88 159.17 26.5 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.195 0.998 . . . . 0.0 112.312 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.3 p -62.85 -17.14 61.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.104 0.962 . . . . 0.0 112.652 169.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.0 -42.33 24.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.608 1.163 . . . . 0.0 112.465 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -72.59 -18.63 61.59 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.14 -59.58 2.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.808 1.243 . . . . 0.0 112.201 -175.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.8 -21.68 73.28 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.733 -0.604 . . . . 0.0 113.967 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 m -71.17 -40.2 71.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.466 -1.02 . . . . 0.0 110.664 170.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.304 1.3 m -72.36 -35.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.941 0.791 . . . . 0.0 112.283 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.7 mtp -59.01 -34.13 71.52 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.309 1.413 . . . . 0.0 112.859 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -68.18 -24.95 65.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -67.19 -33.4 75.31 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.329 0.968 . . . . 0.0 111.23 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.78 12.9 2.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.782 1.233 . . . . 0.0 113.965 168.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.83 74.23 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 117.177 1.631 . . . . 0.0 117.177 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -138.05 135.28 35.71 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.749 1.775 . . . . 0.0 113.186 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -90.04 106.37 14.33 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.301 0.641 . . . . 0.0 111.471 169.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -68.57 145.94 65.86 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.01 2.473 . . . . 0.0 111.427 168.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -68.42 150.25 48.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.162 0.985 . . . . 0.0 110.32 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -61.08 -30.5 70.38 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.355 -1.465 . . . . 0.0 113.132 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.14 -36.49 81.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.034 0.934 . . . . 0.0 112.92 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.78 -47.49 71.99 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.55 -0.719 . . . . 0.0 110.445 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -57.9 -45.74 86.01 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.091 0.556 . . . . 0.0 111.458 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.55 -43.13 93.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.348 0.659 . . . . 0.0 112.098 176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -66.58 -42.81 86.41 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.519 -0.738 . . . . 0.0 112.566 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 111.923 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.68 -29.34 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.321 -0.862 . . . . 0.0 111.442 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -65.18 -28.33 69.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.427 1.467 . . . . 0.0 113.017 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -74.93 -48.82 22.6 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.429 1.013 . . . . 0.0 111.774 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.42 -46.23 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 113.476 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -107.11 55.38 0.65 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.899 1.679 . . . . 0.0 112.593 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.81 -23.03 64.76 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.246 -0.909 . . . . 0.0 113.337 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -81.83 -15.1 55.2 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.99 1.316 . . . . 0.0 114.094 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.83 27.89 73.52 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.295 0.95 . . . . 0.0 114.352 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -18.55 57.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.26 1.424 . . . . 0.0 114.462 -174.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.53 10.62 85.05 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.438 1.494 . . . . 0.0 116.259 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 p -132.16 160.81 34.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.529 1.664 . . . . 0.0 114.455 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -132.54 134.77 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 128.113 2.565 . . . . 0.0 108.577 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.67 157.23 19.14 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.896 0.771 . . . . 0.0 111.555 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -45.43 -55.83 11.03 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.14 -22.51 30.26 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.801 1.667 . . . . 0.0 113.604 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.26 -26.11 52.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.53 -0.731 . . . . 0.0 112.32 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.93 -39.06 76.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.228 0.922 . . . . 0.0 111.968 169.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.88 -21.28 64.58 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 t -59.85 -35.11 74.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ptp -88.24 -31.32 19.1 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.918 -0.489 . . . . 0.0 111.645 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.89 -32.26 73.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.897 0.771 . . . . 0.0 112.595 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 123.353 0.661 . . . . 0.0 112.17 169.3 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.18 -37.57 81.09 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.542 -0.724 . . . . 0.0 112.256 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.39 90.44 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.67 -0.644 . . . . 0.0 111.548 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.05 -47.58 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.61 0.764 . . . . 0.0 110.542 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -57.27 -46.12 83.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.33 0.968 . . . . 0.0 111.913 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -65.47 -42.3 92.41 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.035 0.834 . . . . 0.0 112.657 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.52 -22.75 64.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 113.714 175.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.34 -41.23 34.18 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.91 -1.119 . . . . 0.0 111.01 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.01 -26.4 68.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.91 -21.2 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.07 -27.07 15.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.078 1.351 . . . . 0.0 113.097 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.8 t0 . . . . . 0 N--CA 1.473 0.694 0 C-N-CA 124.034 0.934 . . . . 0.0 109.804 172.408 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 CA-C-O 120.019 -0.323 . . . . 0.0 113.705 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.65 162.5 41.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.426 1.091 . . . . 0.0 112.315 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.54 139.85 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.308 1.843 . . . . 0.0 109.421 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -68.25 143.65 55.19 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.524 -1.36 . . . . 0.0 112.309 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.07 85.62 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.36 -0.837 . . . . 0.0 112.79 -176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.78 72.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.526 0.73 . . . . 0.0 112.829 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -74.09 -44.62 53.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.635 0.774 . . . . 0.0 111.809 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.88 -36.13 77.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.781 0.719 . . . . 0.0 111.149 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -63.08 -36.5 83.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.755 1.162 . . . . 0.0 112.032 169.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.4 -64.08 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.917 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.4 m -57.52 -40.42 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.863 1.665 . . . . 0.0 112.722 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.0 mmt -75.91 -10.23 59.26 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -122.32 -4.6 8.88 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -99.95 -26.15 14.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.847 1.659 . . . . 0.0 113.507 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.9 mt -134.48 152.6 51.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.099 1.36 . . . . 0.0 111.14 -168.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.26 -142.59 36.06 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 114.53 0.572 . . . . 0.0 114.53 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -81.04 8.41 8.59 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 42.64 104.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 129.638 3.175 . . . . 0.0 114.891 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.9 144.35 57.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.644 0.777 . . . . 0.0 110.808 170.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.7 159.29 30.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.097 0.559 . . . . 0.0 109.963 171.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.74 -31.71 64.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -83.99 -26.83 28.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.817 0.847 . . . . 0.0 112.952 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -77.82 -40.5 40.24 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.922 1.689 . . . . 0.0 111.537 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.19 -32.52 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.88 0.872 . . . . 0.0 110.992 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.31 -38.4 81.56 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 111.719 170.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.24 -38.25 76.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.652 0.66 . . . . 0.0 110.852 169.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.17 -56.01 22.99 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.198 170.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.57 -40.02 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 121.012 1.733 . . . . 0.0 111.225 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -52.8 -35.02 56.21 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.904 1.681 . . . . 0.0 113.758 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -109.88 -15.92 13.98 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.82 -33.58 15.63 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.343 1.857 . . . . 0.0 113.02 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 126.056 1.743 . . . . 0.0 111.388 172.218 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 N-CA-C 113.701 0.24 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -126.82 89.68 3.03 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.935 1.694 . . . . 0.0 109.372 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 t -66.43 124.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.242 0.617 . . . . 0.0 110.421 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.55 94.41 8.18 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.992 0.901 . . . . 0.0 110.863 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.29 -28.57 68.8 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.798 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.52 -27.51 67.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.508 1.049 . . . . 0.0 112.779 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -88.8 -39.6 13.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.686 1.194 . . . . 0.0 111.671 168.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.72 -43.43 90.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.35 1.06 . . . . 0.0 112.569 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.6 p -56.51 -39.19 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.43 1.092 . . . . 0.0 112.472 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.87 -49.34 59.09 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.237 0.615 . . . . 0.0 110.654 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.92 -43.27 86.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.286 0.634 . . . . 0.0 112.308 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.0 ttp -67.91 -32.0 72.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.621 1.568 . . . . 0.0 112.961 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.26 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.0 tp60 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.79 -47.86 73.44 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.15 1.38 . . . . 0.0 111.809 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.38 -28.76 68.2 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.7 m -95.81 -30.07 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.229 1.012 . . . . 0.0 112.024 -173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 60.6 m -59.89 -40.69 89.57 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.351 1.06 . . . . 0.0 110.673 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.95 77.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.725 -0.609 . . . . 0.0 110.858 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.83 -37.66 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 120.995 -1.066 . . . . 0.0 112.197 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.23 -45.18 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.297 1.039 . . . . 0.0 110.758 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.46 -41.0 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.443 1.097 . . . . 0.0 111.072 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.94 -48.69 77.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.608 1.163 . . . . 0.0 111.68 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.23 -45.73 79.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.525 1.13 . . . . 0.0 111.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.17 82.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 45.4 t80 -67.42 -49.78 62.29 Favored 'General case' 0 C--O 1.23 0.071 0 O-C-N 121.41 -0.806 . . . . 0.0 111.926 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -65.82 -26.79 67.83 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.545 -0.722 . . . . 0.0 112.429 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -63.08 -43.05 99.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.982 0.913 . . . . 0.0 110.927 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.55 -39.51 91.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.335 0.654 . . . . 0.0 112.478 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.543 0.71 0 O-C-N 121.103 -0.998 . . . . 0.0 112.193 173.069 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -68.07 -42.46 80.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.162 0.985 . . . . 0.0 112.202 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.67 -41.96 95.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.661 0.784 . . . . 0.0 110.83 173.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.39 -44.68 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.222 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.55 74.69 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.42 1.009 . . . . 0.0 112.875 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.55 -44.79 81.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.793 -1.192 . . . . 0.0 111.709 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -68.74 -33.91 74.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.702 0.801 . . . . 0.0 112.218 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.91 -52.71 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.221 1.808 . . . . 0.0 111.048 173.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.01 -50.44 68.51 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.058 0.543 . . . . 0.0 111.761 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.93 74.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -73.28 -48.11 37.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.843 0.857 . . . . 0.0 111.637 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -59.98 -27.05 66.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.287 1.035 . . . . 0.0 112.405 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.91 -21.96 33.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.298 1.439 . . . . 0.0 114.146 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -120.15 4.04 10.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.864 1.666 . . . . 0.0 113.092 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 125.645 1.578 . . . . 0.0 110.823 172.727 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 24.53 61.62 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.806 1.193 . . . . 0.0 114.321 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -141.99 158.88 43.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.7 1.2 . . . . 0.0 113.127 -174.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -133.42 168.8 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.28 1.832 . . . . 0.0 110.817 174.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -80.94 158.57 25.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.121 0.963 . . . . 0.0 111.887 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 p -59.7 -30.47 68.82 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.584 0.754 . . . . 0.0 112.437 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.01 -40.03 68.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.786 0.834 . . . . 0.0 112.519 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.63 -15.16 61.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.01 -47.33 71.62 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.908 1.231 . . . . 0.0 112.149 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.4 76.76 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 118.826 0.739 . . . . 0.0 113.48 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -66.1 -41.08 91.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.848 1.324 . . . . 0.0 111.313 172.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.68 -41.47 92.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.347 1.059 . . . . 0.0 110.977 174.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.7 mtp -62.09 -42.12 98.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.994 -1.066 . . . . 0.0 112.265 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -67.48 -31.0 70.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.049 0.94 . . . . 0.0 112.701 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.5 t -62.8 -33.06 74.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.516 0.726 . . . . 0.0 111.974 169.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.4 mt -82.47 5.87 19.21 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.051 1.74 . . . . 0.0 114.145 170.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.23 -4.43 67.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.482 1.515 . . . . 0.0 115.788 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.29 115.86 23.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.922 1.361 . . . . 0.0 108.923 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -103.65 86.51 1.19 Allowed Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 121.491 -0.756 . . . . 0.0 110.971 176.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.1 153.39 57.27 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.761 2.307 . . . . 0.0 111.057 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -83.99 161.21 20.83 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.196 -0.94 . . . . 0.0 111.637 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.88 -36.35 83.03 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.828 -1.795 . . . . 0.0 113.187 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.59 63.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -87.3 -36.48 17.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.225 1.81 . . . . 0.0 111.551 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.3 mt -58.59 -45.39 89.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.969 0.908 . . . . 0.0 110.905 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -61.32 -36.46 80.19 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.09 -28.05 68.53 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.1 mtm -85.03 -42.57 14.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 112.419 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.27 -28.46 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -59.71 -19.69 51.55 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 121.02 1.736 . . . . 0.0 113.775 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.5 -28.62 59.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.397 1.479 . . . . 0.0 113.513 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 m -105.37 -37.53 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.832 1.653 . . . . 0.0 113.815 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -89.37 30.91 0.94 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.233 1.813 . . . . 0.0 112.243 173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.02 67.96 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.995 -1.066 . . . . 0.0 113.239 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -84.97 -7.85 58.98 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.213 1.405 . . . . 0.0 113.698 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.7 11.5 73.19 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.325 1.441 . . . . 0.0 116.007 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -76.97 -7.12 55.03 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.896 1.848 . . . . 0.0 114.961 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.71 13.33 80.52 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 120.879 -1.138 . . . . 0.0 115.635 171.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -136.69 158.74 43.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.092 1.357 . . . . 0.0 113.195 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.4 mt -139.45 138.45 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 0.0 108.963 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.7 159.58 17.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.734 0.814 . . . . 0.0 112.074 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -46.38 -56.98 9.46 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.93 -21.11 21.4 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.857 1.705 . . . . 0.0 113.074 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.44 -42.62 71.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.53 0.605 . . . . 0.0 111.017 173.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.59 -40.06 86.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.337 -0.852 . . . . 0.0 112.442 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -64.26 -19.17 65.21 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -37.45 84.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.909 0.777 . . . . 0.0 112.492 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -84.18 -33.46 24.19 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.763 -0.586 . . . . 0.0 112.144 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.5 mmm -63.54 -38.45 91.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.485 0.584 . . . . 0.0 111.624 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 173.412 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.84 -33.81 76.42 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.638 -0.664 . . . . 0.0 112.19 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -68.99 -44.82 72.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.815 -0.553 . . . . 0.0 111.569 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.6 -46.22 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.883 0.873 . . . . 0.0 110.02 174.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -48.93 79.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 111.003 178.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.52 -44.81 93.19 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.558 -0.713 . . . . 0.0 112.472 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.73 80.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.701 1.2 . . . . 0.0 112.892 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.66 -43.53 75.99 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.282 -0.887 . . . . 0.0 112.014 172.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -63.14 -23.17 67.31 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.438 -0.789 . . . . 0.0 112.951 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -62.73 -38.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.952 1.301 . . . . 0.0 111.345 167.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.07 -17.98 33.64 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.264 1.426 . . . . 0.0 114.521 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 CA--C 1.547 0.855 0 O-C-N 121.35 -0.843 . . . . 0.0 109.244 169.485 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.488 0 CA-C-O 119.803 -0.443 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.86 161.64 40.56 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.388 1.094 . . . . 0.0 112.784 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -128.34 139.43 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.747 1.619 . . . . 0.0 109.461 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -66.32 141.76 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.496 -1.377 . . . . 0.0 111.8 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.1 93.2 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.099 -1.001 . . . . 0.0 112.665 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.04 73.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.395 0.678 . . . . 0.0 112.691 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -73.91 -45.49 50.32 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.64 0.776 . . . . 0.0 111.902 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.97 -34.14 75.99 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.16 0.891 . . . . 0.0 111.268 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 -61.91 -45.13 95.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.677 1.126 . . . . 0.0 110.761 168.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -57.55 -57.88 10.75 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.941 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.29 -40.91 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 120.586 1.539 . . . . 0.0 111.715 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.6 mmt -75.59 -14.83 60.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 p -116.11 4.83 13.7 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -105.72 -23.7 12.68 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.734 1.214 . . . . 0.0 113.055 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.89 164.14 27.94 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.972 1.309 . . . . 0.0 111.397 -167.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.39 50.72 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 121.914 0.73 . . . . 0.0 113.508 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -69.15 -12.15 61.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.846 1.658 . . . . 0.0 114.443 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.34 135.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.948 2.499 . . . . 0.0 113.102 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 mt -92.42 151.78 20.06 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.217 1.007 . . . . 0.0 110.033 167.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -67.91 160.59 28.21 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.206 1.002 . . . . 0.0 110.685 170.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -56.09 -44.9 79.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.572 1.149 . . . . 0.0 113.934 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.3 -33.05 64.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.269 -0.894 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.457 1.503 . . . . 0.0 112.297 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.94 -31.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.927 0.891 . . . . 0.0 112.027 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.03 -36.08 77.36 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.941 -1.1 . . . . 0.0 111.762 170.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.08 -29.55 68.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.943 0.897 . . . . 0.0 112.087 171.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.1 ttm -66.46 -55.77 14.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.71 0.686 . . . . 0.0 110.047 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.49 -36.01 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.945 0.793 . . . . 0.0 111.784 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -53.51 -41.51 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.86 1.264 . . . . 0.0 113.419 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -42.1 11.28 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 111.72 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.86 -33.65 76.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.432 1.893 . . . . 0.0 112.447 -170.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.589 1.155 . . . . 0.0 110.303 168.774 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 113.915 0.326 . . . . 0.0 113.915 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -129.57 101.78 6.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.393 1.477 . . . . 0.0 110.86 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.7 t -69.36 130.49 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.516 0.674 . . . . 0.0 110.663 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.96 80.84 2.53 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.264 1.03 . . . . 0.0 111.752 173.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -57.91 -28.92 64.67 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.448 -173.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.73 -33.13 74.5 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.294 1.037 . . . . 0.0 112.654 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.28 -38.24 27.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.377 0.671 . . . . 0.0 111.193 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.49 -39.54 92.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.889 0.876 . . . . 0.0 113.12 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.39 -45.88 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.836 0.744 . . . . 0.0 111.411 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -66.19 -37.15 84.91 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.618 0.767 . . . . 0.0 111.704 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.09 -46.53 70.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.675 0.79 . . . . 0.0 112.754 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.47 -38.22 90.26 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.129 0.877 . . . . 0.0 111.926 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 178.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.39 -50.06 72.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.877 0.871 . . . . 0.0 111.793 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -64.24 -24.8 67.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.611 1.164 . . . . 0.0 114.1 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.2 m -98.97 -33.0 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.431 1.092 . . . . 0.0 112.375 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -54.98 -41.99 71.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.651 1.181 . . . . 0.0 110.6 171.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.44 76.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.634 -0.666 . . . . 0.0 111.779 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.29 -37.01 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.255 0.934 . . . . 0.0 111.916 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -59.58 -41.67 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.772 1.229 . . . . 0.0 110.939 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.45 -37.88 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.399 1.08 . . . . 0.0 111.057 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.867 1.212 . . . . 0.0 111.665 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.09 -57.09 13.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.651 1.181 . . . . 0.0 110.965 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.95 72.54 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.841 0.856 . . . . 0.0 112.839 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -69.89 -51.45 33.06 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -66.62 -23.56 66.19 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.955 -1.09 . . . . 0.0 112.495 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.91 -48.2 75.0 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.486 1.114 . . . . 0.0 110.072 168.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.7 -30.82 71.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.226 1.41 . . . . 0.0 114.19 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.6 mt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 123.746 0.818 . . . . 0.0 113.047 173.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.89 -40.35 75.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.04 0.936 . . . . 0.0 112.575 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.11 -43.56 94.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.404 0.682 . . . . 0.0 110.644 172.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.46 -45.68 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.633 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.36 90.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.891 0.769 . . . . 0.0 112.666 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.25 -46.07 82.02 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.185 -0.947 . . . . 0.0 111.783 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.32 -33.91 77.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.463 0.705 . . . . 0.0 112.062 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -55.31 -53.33 57.51 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.09 1.756 . . . . 0.0 111.125 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -66.17 -49.61 66.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.677 0.791 . . . . 0.0 111.728 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.98 73.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -73.48 -48.39 33.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.89 0.768 . . . . 0.0 111.566 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.0 t -61.89 -28.76 69.74 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.269 1.028 . . . . 0.0 113.08 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.53 -19.77 6.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.572 1.549 . . . . 0.0 114.351 170.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -126.01 8.14 7.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.626 1.171 . . . . 0.0 113.462 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 124.382 1.073 . . . . 0.0 111.001 179.861 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.15 60.75 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.903 1.24 . . . . 0.0 113.48 -171.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -142.17 151.35 42.13 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.567 1.184 . . . . 0.0 113.48 -175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 pt -124.7 171.75 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 126.835 2.054 . . . . 0.0 110.89 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -86.08 159.72 19.48 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 122.329 1.061 . . . . 0.0 112.446 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -62.43 -21.57 65.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.532 1.133 . . . . 0.0 113.024 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.74 -43.55 46.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.352 1.061 . . . . 0.0 112.527 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.53 -13.18 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.85 -57.2 6.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.945 1.248 . . . . 0.0 111.728 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.68 -27.4 71.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.141 -0.974 . . . . 0.0 113.342 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.6 m -74.23 -35.18 63.85 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.15 0.98 . . . . 0.0 111.797 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -63.76 -41.41 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.532 0.733 . . . . 0.0 110.305 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.6 mtp -63.51 -41.85 98.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.145 -0.972 . . . . 0.0 112.292 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -61.07 -37.39 82.49 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.28 1.032 . . . . 0.0 112.648 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.49 -32.88 73.86 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.955 0.902 . . . . 0.0 112.372 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.7 mt -80.56 6.84 11.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.502 1.521 . . . . 0.0 114.298 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.85 16.96 66.6 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 0.0 115.615 172.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -132.73 125.45 30.23 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.902 1.351 . . . . 0.0 111.462 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.12 92.87 5.86 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.428 1.091 . . . . 0.0 111.862 -175.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.87 152.26 68.7 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.611 2.874 . . . . 0.0 112.421 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -69.9 159.65 33.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.773 0.829 . . . . 0.0 112.042 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -60.2 -31.7 70.39 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.181 -0.949 . . . . 0.0 112.483 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 -44.86 73.56 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.987 0.915 . . . . 0.0 112.219 174.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.83 -45.06 95.45 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.776 0.83 . . . . 0.0 111.957 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.93 -46.03 91.12 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.743 -0.598 . . . . 0.0 111.442 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.8 -41.66 91.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.516 0.726 . . . . 0.0 111.897 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.17 -44.96 95.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.826 0.85 . . . . 0.0 112.63 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -67.84 -40.19 83.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.644 -0.66 . . . . 0.0 112.124 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.1 -29.04 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.8 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.78 -28.9 70.31 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.305 1.411 . . . . 0.0 112.902 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -83.34 -44.33 14.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.495 0.718 . . . . 0.0 112.635 171.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -73.41 -40.06 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.568 1.147 . . . . 0.0 113.908 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -118.73 46.83 1.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.773 1.629 . . . . 0.0 112.712 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.67 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -87.31 -4.82 59.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.63 40.72 58.53 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.031 -1.043 . . . . 0.0 115.277 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.36 -23.59 54.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.144 1.378 . . . . 0.0 113.091 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.43 16.74 77.43 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.791 1.662 . . . . 0.0 114.625 -172.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.1 p -137.83 159.05 43.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.263 1.425 . . . . 0.0 113.563 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -141.07 137.32 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.982 2.113 . . . . 0.0 108.727 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.13 157.55 18.26 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.831 0.741 . . . . 0.0 111.64 172.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.78 -55.72 13.9 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -21.96 30.49 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 121.936 1.757 . . . . 0.0 113.453 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -72.97 -40.53 65.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.815 0.734 . . . . 0.0 111.235 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.87 -39.99 91.28 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.494 -0.754 . . . . 0.0 112.182 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -63.26 -19.22 64.37 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.312 -0.867 . . . . 0.0 113.164 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -35.66 81.12 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.295 0.952 . . . . 0.0 112.8 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.73 -36.18 23.87 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.85 -0.531 . . . . 0.0 111.353 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.11 -24.86 66.76 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.181 0.901 . . . . 0.0 113.124 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 123.765 0.826 . . . . 0.0 112.818 169.88 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -65.16 -35.6 81.6 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.961 0.905 . . . . 0.0 112.009 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.85 -43.11 80.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.601 -0.687 . . . . 0.0 111.718 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.71 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 123.182 0.593 . . . . 0.0 110.107 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -59.25 -44.65 92.38 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.154 0.888 . . . . 0.0 112.484 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.53 -46.55 85.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.093 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.15 -21.34 65.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.582 1.553 . . . . 0.0 113.944 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.34 -42.38 20.63 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.253 -0.905 . . . . 0.0 112.541 169.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ttp-105 -62.12 -25.97 68.03 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.109 -0.994 . . . . 0.0 113.446 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.07 -19.46 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CE1' HG22 ' A' ' 108' ' ' VAL . 14.9 m-85 -95.44 -22.42 17.71 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.401 1.08 . . . . 0.0 112.805 173.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 124.393 1.077 . . . . 0.0 110.413 173.648 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.277 0 N-CA-C 113.571 0.188 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.36 164.38 35.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.533 1.133 . . . . 0.0 111.974 -178.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -129.21 144.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.025 1.73 . . . . 0.0 108.942 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.7 t -65.42 144.42 57.07 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.211 -1.556 . . . . 0.0 111.338 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.29 69.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.47 79.67 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.271 0.628 . . . . 0.0 112.164 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -72.06 -43.73 64.43 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.457 0.703 . . . . 0.0 112.383 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.35 -40.2 77.65 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.936 0.789 . . . . 0.0 110.9 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -58.37 -45.79 87.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.051 0.841 . . . . 0.0 111.345 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -54.99 -59.21 5.06 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.234 0.614 . . . . 0.0 111.364 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.425 HG22 ' CE1' ' A' ' 92' ' ' PHE . 11.3 p -65.04 -34.87 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.998 0.817 . . . . 0.0 112.264 -175.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -71.45 -15.53 62.34 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -116.47 8.08 13.95 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 169.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -108.85 -44.68 3.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.967 1.307 . . . . 0.0 111.718 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.13 146.82 46.35 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.091 1.357 . . . . 0.0 111.865 -168.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.88 -148.84 43.73 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.149 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -69.54 -6.36 30.34 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 54.63 108.52 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.266 2.626 . . . . 0.0 114.358 -173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.12 149.43 46.45 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.782 -0.574 . . . . 0.0 110.539 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.76 161.78 25.33 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.974 . . . . 0.0 110.852 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -56.02 -45.76 79.02 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.63 -1.294 . . . . 0.0 114.143 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.41 -31.99 64.18 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.147 -0.97 . . . . 0.0 112.268 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.0 -40.31 71.9 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.801 1.64 . . . . 0.0 112.264 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 p -75.04 -30.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.168 0.987 . . . . 0.0 111.662 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -70.71 -35.94 72.98 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.855 -1.153 . . . . 0.0 112.181 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.32 -30.69 68.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.953 0.901 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 ttm -67.47 -55.83 12.02 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.458 0.703 . . . . 0.0 109.819 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -57.08 -37.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.271 0.941 . . . . 0.0 111.562 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -50.34 -38.97 44.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.74 1.216 . . . . 0.0 113.807 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -110.09 -20.48 12.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.275 1.43 . . . . 0.0 114.141 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.15 -38.67 51.36 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.918 1.687 . . . . 0.0 112.333 173.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 111.32 171.693 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.392 0 N-CA-C 113.956 0.342 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -121.87 90.11 3.25 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.541 1.536 . . . . 0.0 109.199 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.53 120.65 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -92.15 96.16 10.16 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.807 0.813 . . . . 0.0 110.502 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -64.51 -32.44 74.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.751 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -60.13 -39.15 85.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.576 1.535 . . . . 0.0 112.732 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -76.52 -37.97 55.88 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.197 0.999 . . . . 0.0 112.111 169.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -64.53 -39.03 93.01 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.3 t -56.44 -49.57 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.663 1.12 . . . . 0.0 108.592 170.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -63.92 -38.4 90.94 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.849 0.718 . . . . 0.0 110.983 -171.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.5 ttp -66.7 -45.71 77.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 112.846 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.0 mtm -64.42 -39.21 93.41 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.701 0.682 . . . . 0.0 112.617 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.476 0.869 0 C-N-CA 123.994 0.918 . . . . 0.0 113.021 -177.677 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.3 tp60 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 120.858 0.361 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.32 -42.76 70.52 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.923 1.289 . . . . 0.0 111.717 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.89 -28.47 68.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 10.4 m -99.79 -31.33 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.453 1.101 . . . . 0.0 111.953 -173.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -56.04 -39.54 72.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.779 1.231 . . . . 0.0 111.098 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.17 72.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.663 0.785 . . . . 0.0 111.052 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 92.7 mt -65.53 -39.37 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 120.6 -1.313 . . . . 0.0 111.941 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.9 mt -57.46 -41.9 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.414 1.085 . . . . 0.0 110.678 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.3 -41.2 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 111.337 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -54.43 -47.21 73.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.506 1.048 . . . . 0.0 111.586 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -72.21 -42.9 65.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.018 0.927 . . . . 0.0 111.86 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.77 85.17 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 173.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.78 -50.93 67.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.076 0.55 . . . . 0.0 112.121 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 33.1 mtm-85 -67.02 -28.0 67.87 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.281 -0.887 . . . . 0.0 112.615 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.65 -40.71 97.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.866 0.757 . . . . 0.0 110.82 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.94 -36.06 82.32 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.049 0.84 . . . . 0.0 112.937 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 CA--C 1.543 0.674 0 O-C-N 120.703 -1.248 . . . . 0.0 112.021 171.524 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.88 -44.93 75.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.941 0.896 . . . . 0.0 112.065 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.13 -45.98 91.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.323 0.649 . . . . 0.0 111.24 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.39 -46.35 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.092 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.12 76.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.661 1.118 . . . . 0.0 112.835 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.97 -45.2 86.69 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 111.568 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.04 -37.7 88.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.825 0.85 . . . . 0.0 112.441 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.23 -50.43 72.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.762 1.625 . . . . 0.0 111.171 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -65.02 -51.9 59.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.32 0.648 . . . . 0.0 111.836 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.29 72.43 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -72.65 -50.62 23.87 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.982 0.913 . . . . 0.0 111.443 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 t -61.49 -24.6 66.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.045 0.938 . . . . 0.0 112.643 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -56.62 -21.83 29.78 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.398 1.479 . . . . 0.0 113.927 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -121.62 4.52 10.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.824 1.65 . . . . 0.0 113.312 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.3 t0 . . . . . 0 CA--C 1.54 0.583 0 O-C-N 121.366 -0.834 . . . . 0.0 110.386 175.039 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.86 30.22 32.64 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.731 1.158 . . . . 0.0 113.855 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -140.55 156.43 46.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.865 1.266 . . . . 0.0 113.319 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.7 pt -131.33 170.96 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 126.938 2.095 . . . . 0.0 110.147 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -88.89 162.55 16.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.386 1.088 . . . . 0.0 113.385 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.2 p -59.57 -18.94 45.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.855 1.262 . . . . 0.0 112.846 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -43.21 57.99 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.355 1.062 . . . . 0.0 112.363 170.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.17 -17.25 57.06 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tt -46.25 -57.99 4.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.132 1.373 . . . . 0.0 111.912 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -29.11 74.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.511 -0.743 . . . . 0.0 113.245 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -69.34 -40.36 77.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.305 1.052 . . . . 0.0 111.551 173.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.81 -41.71 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.604 1.161 . . . . 0.0 110.579 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.0 mtp -62.09 -42.99 99.77 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.932 . . . . 0.0 112.532 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -64.24 -33.66 76.32 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.521 -0.737 . . . . 0.0 112.408 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 t -64.14 -34.97 79.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 0.0 112.159 169.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 26.43 0.23 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.331 1.852 . . . . 0.0 114.27 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.88 70.54 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 169.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -138.2 127.0 23.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.708 1.203 . . . . 0.0 111.158 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.21 95.56 2.94 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.878 0.871 . . . . 0.0 110.818 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -64.41 150.2 88.68 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.533 2.822 . . . . 0.0 112.622 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -81.95 142.52 32.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.839 0.855 . . . . 0.0 109.967 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.32 -28.55 69.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.528 -1.357 . . . . 0.0 113.568 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -31.34 72.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.201 1.0 . . . . 0.0 113.083 172.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.81 -49.89 48.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.679 -0.638 . . . . 0.0 109.966 169.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -61.71 -39.06 90.18 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -61.32 -40.27 93.6 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.665 0.666 . . . . 0.0 111.64 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -69.2 -43.37 74.29 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.641 -0.662 . . . . 0.0 111.767 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.8 mtp -60.54 -39.85 89.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.544 1.138 . . . . 0.0 111.934 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.64 -32.45 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.939 0.896 . . . . 0.0 111.583 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -63.53 -30.56 71.66 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.923 1.692 . . . . 0.0 112.4 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.99 -51.65 15.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.909 0.777 . . . . 0.0 112.464 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.7 t -74.12 -45.42 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.644 1.177 . . . . 0.0 113.246 -171.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -102.33 56.08 0.79 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.935 1.694 . . . . 0.0 112.32 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -23.35 63.98 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -83.11 -14.6 53.33 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.964 1.306 . . . . 0.0 114.168 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.39 27.94 73.51 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.256 0.932 . . . . 0.0 114.171 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -18.28 55.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.531 1.533 . . . . 0.0 114.489 -173.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.58 5.67 89.27 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.391 1.472 . . . . 0.0 116.251 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -126.94 159.19 34.75 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.998 1.899 . . . . 0.0 114.821 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.81 134.4 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 128.026 2.53 . . . . 0.0 108.84 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.65 157.11 18.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.276 0.631 . . . . 0.0 111.394 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -45.44 -53.07 19.85 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.72 -27.13 27.04 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.811 1.674 . . . . 0.0 113.353 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.0 -29.18 61.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.173 -0.954 . . . . 0.0 111.899 174.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -69.43 -42.69 74.65 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.264 -0.898 . . . . 0.0 110.911 168.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.31 -26.45 68.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.87 -1.144 . . . . 0.0 112.284 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -35.81 70.16 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.115 1.366 . . . . 0.0 113.427 171.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.2 ptp -84.52 -40.39 17.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.043 1.292 . . . . 0.0 111.627 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.4 mmm -65.83 -39.77 91.16 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.331 0.514 . . . . 0.0 112.287 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 123.896 0.878 . . . . 0.0 112.958 174.399 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -69.61 -29.58 67.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.441 -0.787 . . . . 0.0 112.198 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.06 -36.86 61.77 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.553 0.741 . . . . 0.0 112.134 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.66 -47.9 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.19 0.996 . . . . 0.0 109.587 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -56.42 -48.37 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.422 0.689 . . . . 0.0 112.492 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.7 -40.96 84.3 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.21 86.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.01 1.324 . . . . 0.0 112.751 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.34 -43.61 94.05 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.134 -0.978 . . . . 0.0 111.468 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -63.13 -22.44 66.86 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.2 -31.86 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.988 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 108' ' ' VAL . 14.8 m-85 -93.0 -16.58 24.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 175.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.548 1.139 . . . . 0.0 110.761 179.844 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.2 0 N-CA-C 113.023 -0.031 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.24 166.32 28.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.237 1.415 . . . . 0.0 111.259 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.17 136.23 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.889 1.675 . . . . 0.0 109.037 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 m -67.08 142.53 57.1 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.161 -1.587 . . . . 0.0 111.825 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.18 83.53 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.435 -0.791 . . . . 0.0 113.06 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.47 74.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 112.742 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -74.34 -43.5 56.37 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.647 0.779 . . . . 0.0 111.843 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.91 0.777 . . . . 0.0 110.756 174.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -59.86 -40.99 90.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.899 0.772 . . . . 0.0 112.038 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.02 -63.41 1.22 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.897 0.771 . . . . 0.0 110.476 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' A' ' 92' ' ' PHE . 14.8 p -64.51 -37.87 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.089 0.859 . . . . 0.0 112.785 -171.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.3 mmt -69.11 -14.86 63.24 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -118.21 1.22 11.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.07 -41.35 5.6 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.323 1.849 . . . . 0.0 112.099 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.6 mt -125.5 144.52 50.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.339 1.456 . . . . 0.0 111.806 -168.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.17 -151.24 45.12 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 121.399 0.444 . . . . 0.0 114.165 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.62 52.13 0.97 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.066 1.746 . . . . 0.0 113.281 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -14.02 113.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 130.989 3.716 . . . . 0.0 114.998 -174.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.63 150.6 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.021 0.928 . . . . 0.0 112.144 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -70.13 159.21 34.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.879 0.871 . . . . 0.0 110.195 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.266 1.027 . . . . 0.0 113.694 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.84 -23.33 58.43 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.356 -0.84 . . . . 0.0 112.973 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -81.81 -41.1 21.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.615 1.566 . . . . 0.0 111.672 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.08 -33.42 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.305 0.642 . . . . 0.0 111.034 171.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.4 -40.71 93.78 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.36 -0.837 . . . . 0.0 111.789 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.76 -40.23 83.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.508 0.595 . . . . 0.0 111.229 171.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttm -58.99 -53.97 52.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.298 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.2 mm -60.04 -37.4 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 121.247 1.839 . . . . 0.0 111.322 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.16 -31.68 63.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.849 1.26 . . . . 0.0 113.969 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.41 -17.65 13.42 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.191 1.396 . . . . 0.0 114.553 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.6 -33.43 18.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.878 2.071 . . . . 0.0 113.4 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 124.314 1.046 . . . . 0.0 111.679 175.822 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 N-CA-C 114.978 0.751 . . . . 0.0 114.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.58 104.32 11.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.842 1.321 . . . . 0.0 110.963 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.66 124.47 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.834 -0.541 . . . . 0.0 109.736 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -96.01 102.53 14.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.076 0.941 . . . . 0.0 110.215 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -71.72 -22.04 61.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.018 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -66.97 -37.82 84.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.0 1.273 . . . . 0.0 112.303 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -71.16 -41.35 70.52 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 110.952 168.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.45 -43.5 80.96 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.77 -43.19 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.299 -0.876 . . . . 0.0 110.903 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.36 -35.25 79.88 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.052 0.541 . . . . 0.0 111.988 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.3 ttp -69.12 -46.74 66.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.778 1.231 . . . . 0.0 112.75 173.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.62 -39.37 91.41 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.476 -0.765 . . . . 0.0 112.432 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.19 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -54.54 -43.58 72.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.672 1.123 . . . . 0.0 111.354 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.81 -22.26 63.32 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 2.8 m -104.02 -30.19 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.468 1.107 . . . . 0.0 112.952 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.9 m -56.3 -39.56 72.9 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.366 1.066 . . . . 0.0 109.875 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.15 88.95 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.382 0.673 . . . . 0.0 110.409 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.01 -37.84 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.007 -1.058 . . . . 0.0 112.266 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.17 -43.7 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 110.726 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.1 -39.09 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.516 1.126 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.77 -46.42 87.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.48 1.112 . . . . 0.0 111.571 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.51 -49.63 77.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 111.522 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.92 98.66 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.486 0.714 . . . . 0.0 112.156 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.7 t80 -66.7 -50.1 63.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.914 0.486 . . . . 0.0 112.149 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -66.88 -25.19 66.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -69.87 -46.2 66.02 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.121 0.873 . . . . 0.0 110.618 168.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.46 -31.02 72.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.578 1.151 . . . . 0.0 113.676 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.849 1.26 . . . . 0.0 112.804 174.032 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.6 -41.37 75.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.053 0.941 . . . . 0.0 112.45 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.17 -45.12 93.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.891 0.877 . . . . 0.0 110.684 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.11 -45.59 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 123.956 0.902 . . . . 0.0 110.764 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.03 -35.32 78.07 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.61 1.095 . . . . 0.0 113.086 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.52 -44.87 89.53 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.822 -1.174 . . . . 0.0 111.571 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -67.89 -32.47 72.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.664 0.786 . . . . 0.0 112.736 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.32 -47.58 85.41 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.413 1.485 . . . . 0.0 110.899 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.75 -33.51 76.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.18 63.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.861 0.755 . . . . 0.0 113.0 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -72.46 -45.57 58.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.389 -0.819 . . . . 0.0 112.911 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -62.49 -17.35 59.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.685 0.794 . . . . 0.0 113.119 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.67 -18.59 60.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.359 1.464 . . . . 0.0 113.9 172.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -129.24 3.57 5.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.657 1.583 . . . . 0.0 113.328 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t0 . . . . . 0 CA--C 1.55 0.966 0 C-N-CA 126.285 1.834 . . . . 0.0 110.238 175.055 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 CA--C 1.546 0.797 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.84 28.81 20.15 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.436 1.017 . . . . 0.0 113.521 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -143.09 150.92 40.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.615 1.166 . . . . 0.0 113.142 -171.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.8 pt -124.29 168.35 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.361 1.865 . . . . 0.0 110.536 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -84.38 160.2 20.69 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.158 0.98 . . . . 0.0 112.953 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.59 -20.15 63.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 113.212 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -74.88 -46.77 33.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.154 0.888 . . . . 0.0 111.371 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.4 -22.3 62.76 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.589 1.156 . . . . 0.0 113.23 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.95 -61.36 1.31 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.511 1.524 . . . . 0.0 112.24 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.1 -23.61 71.42 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.506 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -70.23 -40.29 74.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.519 1.16 . . . . 0.0 111.102 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.295 1.8 m -72.23 -31.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 121.455 -0.778 . . . . 0.0 111.984 173.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtp -64.56 -45.52 86.72 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.508 1.049 . . . . 0.0 111.934 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -64.21 -27.57 69.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.581 0.752 . . . . 0.0 112.65 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -67.7 -25.17 65.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.912 0.885 . . . . 0.0 113.255 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -85.87 1.32 50.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.588 1.555 . . . . 0.0 113.049 169.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.9 -3.44 79.86 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.294 1.426 . . . . 0.0 115.19 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.01 120.49 26.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.062 1.431 . . . . 0.0 109.738 172.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -107.53 84.1 1.77 Allowed Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.531 0.732 . . . . 0.0 110.832 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -66.87 151.56 82.07 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.147 2.565 . . . . 0.0 111.114 174.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -72.64 159.17 34.29 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.103 -0.998 . . . . 0.0 111.109 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -68.46 -27.16 65.91 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.277 -1.514 . . . . 0.0 112.671 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.28 -38.53 68.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.639 0.776 . . . . 0.0 112.3 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.24 -40.99 94.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.067 1.347 . . . . 0.0 111.825 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 mt -60.61 -48.17 82.96 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.002 0.921 . . . . 0.0 111.373 170.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.27 -39.31 78.91 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.202 0.601 . . . . 0.0 112.052 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.99 -44.61 84.34 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.773 0.829 . . . . 0.0 112.621 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.46 -35.9 82.3 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.153 -0.967 . . . . 0.0 112.577 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.0 mt -71.37 -31.21 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 121.208 -0.933 . . . . 0.0 111.483 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -64.68 -28.26 69.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.158 1.345 . . . . 0.0 112.639 172.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -75.8 -50.11 16.15 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.82 0.736 . . . . 0.0 112.165 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.49 -49.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -173.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -99.65 48.47 0.94 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 0.0 112.885 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.37 65.04 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.87 -3.11 58.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.819 1.248 . . . . 0.0 114.348 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 41.29 61.59 Favored Glycine 0 CA--C 1.538 1.472 0 O-C-N 121.049 -1.032 . . . . 0.0 115.057 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -76.29 -24.41 54.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.361 1.465 . . . . 0.0 113.165 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.81 14.63 78.2 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.621 1.581 . . . . 0.0 114.825 -172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 p -138.57 158.25 44.61 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.126 1.37 . . . . 0.0 113.523 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.91 136.25 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.916 2.086 . . . . 0.0 108.816 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.58 157.7 19.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.429 0.692 . . . . 0.0 111.661 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -47.74 -55.19 18.19 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.61 -21.95 28.86 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.938 1.759 . . . . 0.0 113.377 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -72.11 -40.65 68.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.745 0.702 . . . . 0.0 111.209 172.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.68 -41.5 90.8 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.515 -0.741 . . . . 0.0 111.97 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.01 -21.4 63.55 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -35.36 78.77 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.875 0.761 . . . . 0.0 113.008 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.0 ptp -85.45 -30.44 23.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.952 0.796 . . . . 0.0 112.484 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -65.06 -31.58 72.86 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.631 -0.668 . . . . 0.0 111.953 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 123.462 0.705 . . . . 0.0 112.273 169.144 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.22 -32.66 73.03 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.186 -0.946 . . . . 0.0 112.797 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.94 -47.94 70.12 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.577 0.751 . . . . 0.0 111.254 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -60.47 -44.08 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.515 1.126 . . . . 0.0 110.381 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -59.99 -44.8 94.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.536 0.734 . . . . 0.0 112.346 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.87 -39.39 69.68 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.62 76.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.103 0.961 . . . . 0.0 112.628 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.34 -45.45 76.34 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.022 -1.049 . . . . 0.0 111.841 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -60.19 -26.4 66.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.0 t -60.57 -34.93 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.05 1.34 . . . . 0.0 112.382 169.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.47 -18.15 27.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.12 1.368 . . . . 0.0 114.184 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 124.479 1.111 . . . . 0.0 111.469 -175.596 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 N-CA-C 114.13 0.412 . . . . 0.0 114.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.68 164.44 31.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.92 1.288 . . . . 0.0 110.946 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.76 153.0 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.864 1.666 . . . . 0.0 109.227 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 m -76.0 139.9 41.72 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.329 -1.482 . . . . 0.0 111.142 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.25 83.44 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.067 -1.021 . . . . 0.0 112.835 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.99 -29.5 70.43 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 174.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -75.75 -44.87 39.56 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.364 -0.835 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -68.13 -36.95 80.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.28 0.946 . . . . 0.0 111.139 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -63.32 -36.89 85.17 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.392 0.996 . . . . 0.0 112.039 170.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.7 -65.03 0.75 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.545 170.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.0 m -56.67 -41.37 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 120.543 1.519 . . . . 0.0 112.413 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.1 mmt -74.63 -11.34 60.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 p -119.59 -1.01 10.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.942 1.297 . . . . 0.0 113.756 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.6 -29.99 8.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.588 1.555 . . . . 0.0 113.516 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.41 143.79 50.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.645 1.178 . . . . 0.0 110.767 -168.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.02 -145.84 34.14 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.732 0.629 . . . . 0.0 114.289 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.21 -9.65 58.46 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.383 1.473 . . . . 0.0 114.738 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm 54.55 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.102 2.561 . . . . 0.0 114.378 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.97 149.1 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.751 1.22 . . . . 0.0 112.064 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.4 171.83 10.54 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 122.131 0.967 . . . . 0.0 111.907 173.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -56.88 -48.99 76.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.689 1.996 . . . . 0.0 115.369 -174.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -81.77 -26.78 34.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.955 1.302 . . . . 0.0 112.321 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -44.73 77.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.058 1.343 . . . . 0.0 112.019 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.94 -30.73 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.271 0.628 . . . . 0.0 111.436 172.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.11 -38.77 82.62 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.02 -1.05 . . . . 0.0 112.078 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.56 -36.37 76.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.296 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.3 ttm -64.31 -49.34 72.15 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.821 0.849 . . . . 0.0 111.06 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.88 -45.26 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 119.343 0.974 . . . . 0.0 110.485 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -56.58 -36.91 69.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.817 1.247 . . . . 0.0 113.534 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -99.4 -23.31 15.18 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.58 -32.36 28.52 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 119.211 0.914 . . . . 0.0 113.162 174.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 125.574 1.55 . . . . 0.0 111.805 177.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.187 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -121.36 90.76 3.38 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.385 1.474 . . . . 0.0 108.996 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.5 m -73.39 101.4 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.257 1.023 . . . . 0.0 110.252 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.34 87.22 6.16 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.908 0.861 . . . . 0.0 110.534 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -59.66 -31.35 69.46 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.717 -174.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 -40.06 95.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 121.054 1.752 . . . . 0.0 112.239 -174.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.69 -36.38 70.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.133 -0.979 . . . . 0.0 111.768 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.07 -40.37 94.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.473 1.109 . . . . 0.0 113.264 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.42 -47.63 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 119.378 0.99 . . . . 0.0 109.454 175.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -38.6 91.51 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.321 -174.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.5 ttp -66.28 -50.16 64.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.938 1.295 . . . . 0.0 112.756 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.57 -45.12 95.11 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.013 0.824 . . . . 0.0 111.48 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.658 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.25 -45.83 79.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.679 1.592 . . . . 0.0 111.776 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.8 -29.21 69.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.8 m -95.75 -29.49 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.294 1.038 . . . . 0.0 112.451 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.1 m -57.16 -41.05 78.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.369 1.068 . . . . 0.0 110.636 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.54 85.24 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.734 -0.603 . . . . 0.0 110.739 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 58.7 mt -62.75 -38.37 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.875 -1.141 . . . . 0.0 112.235 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.86 -40.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.074 0.95 . . . . 0.0 110.742 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.65 -39.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.468 1.107 . . . . 0.0 111.479 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -56.88 -45.12 82.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.339 1.056 . . . . 0.0 111.378 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.2 -56.28 23.8 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.749 1.22 . . . . 0.0 111.215 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.51 75.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.63 -50.08 64.16 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.665 0.386 . . . . 0.0 111.979 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -65.96 -33.04 74.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.426 -0.796 . . . . 0.0 112.002 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -57.89 -41.18 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.812 1.245 . . . . 0.0 111.007 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.9 t80 -71.03 -39.71 72.16 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 CA--C 1.544 0.738 0 O-C-N 121.172 -0.955 . . . . 0.0 111.891 174.768 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 119.23 -0.414 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -105.28 -1.84 24.74 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.96 137.58 57.82 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.393 -0.817 . . . . 0.0 111.94 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.44 147.8 30.8 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.461 0.704 . . . . 0.0 111.714 169.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -80.88 162.3 24.02 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.771 0.828 . . . . 0.0 110.004 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -57.53 -30.07 64.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.851 0.861 . . . . 0.0 112.844 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -70.64 -45.06 65.88 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.113 0.965 . . . . 0.0 111.869 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -45.95 92.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.29 0.636 . . . . 0.0 110.59 172.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.12 -45.48 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.073 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.72 74.7 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.765 1.166 . . . . 0.0 112.975 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.46 -46.65 75.67 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.113 -0.992 . . . . 0.0 111.573 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -65.69 -36.97 85.15 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.438 0.695 . . . . 0.0 112.279 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.21 -52.3 64.92 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.769 1.627 . . . . 0.0 110.936 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.42 -52.08 63.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.464 0.705 . . . . 0.0 111.62 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.4 75.67 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -71.05 -47.6 57.57 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.454 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -62.44 -28.32 69.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.638 1.175 . . . . 0.0 113.153 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.25 -19.39 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.807 1.243 . . . . 0.0 113.854 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -120.59 4.27 10.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 112.817 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -72.44 125.4 27.3 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.706 -1.246 . . . . 0.0 110.202 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD2' ' H ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -78.04 -22.68 48.8 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.805 1.642 . . . . 0.0 114.5 -174.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -135.13 -10.5 2.25 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 12.36 84.23 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.19 0.9 . . . . 0.0 113.281 -169.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -81.62 -3.83 54.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.57 1.548 . . . . 0.0 113.698 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.63 26.55 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.017 1.294 . . . . 0.0 114.229 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 p -140.63 158.19 44.35 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.916 1.358 . . . . 0.0 114.302 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -135.63 171.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 127.527 2.331 . . . . 0.0 110.516 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.4 p -83.7 159.06 21.59 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 122.421 1.105 . . . . 0.0 112.925 169.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 p -60.41 -28.25 68.11 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.449 1.099 . . . . 0.0 112.54 170.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.29 -40.63 74.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.815 1.246 . . . . 0.0 112.547 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.97 -20.63 61.0 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.12 -58.33 4.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.907 1.231 . . . . 0.0 112.096 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.99 -26.99 73.27 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.179 -0.95 . . . . 0.0 113.388 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -70.29 -38.96 75.13 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.004 0.902 . . . . 0.0 111.078 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.04 -45.35 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.324 1.049 . . . . 0.0 110.529 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.6 mtp -57.06 -41.46 78.77 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.766 1.166 . . . . 0.0 112.136 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.58 -22.61 65.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.834 0.853 . . . . 0.0 113.028 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 t -67.89 -33.12 74.11 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.327 0.967 . . . . 0.0 111.866 169.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.14 2.64 17.38 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.559 1.144 . . . . 0.0 112.818 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.19 -1.15 86.11 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.587 1.565 . . . . 0.0 115.151 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -90.12 121.01 31.78 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.844 1.322 . . . . 0.0 110.629 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -101.06 96.15 5.46 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.572 0.749 . . . . 0.0 110.89 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.8 155.12 53.93 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.095 3.197 . . . . 0.0 113.114 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.53 149.28 38.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.452 1.101 . . . . 0.0 110.38 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -59.71 -34.47 72.94 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.636 -1.29 . . . . 0.0 112.837 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.31 88.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.064 0.946 . . . . 0.0 112.834 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.74 -46.64 78.1 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.744 -0.597 . . . . 0.0 110.866 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.36 -47.61 83.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.948 0.499 . . . . 0.0 111.431 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -60.85 -41.65 96.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.57 -42.33 91.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.57 0.748 . . . . 0.0 112.656 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.5 -42.65 87.08 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.373 -0.829 . . . . 0.0 111.852 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -68.21 -31.11 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 123.465 0.706 . . . . 0.0 111.762 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.7 -36.68 72.3 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.271 1.396 . . . . 0.0 112.335 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -85.86 -41.15 15.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.673 0.789 . . . . 0.0 112.702 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.15 -46.52 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.466 1.106 . . . . 0.0 112.801 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -104.38 45.31 0.97 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.518 1.527 . . . . 0.0 112.587 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.19 -23.8 64.28 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.02 -1.05 . . . . 0.0 113.527 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -83.79 -8.05 59.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.775 1.23 . . . . 0.0 114.084 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.21 35.1 69.95 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.653 1.12 . . . . 0.0 115.091 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -78.13 -18.49 55.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 113.555 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.81 15.37 81.36 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.145 1.355 . . . . 0.0 114.462 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.3 p -135.89 159.36 41.92 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.194 1.398 . . . . 0.0 113.756 -173.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.2 mt -137.94 137.85 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 127.242 2.217 . . . . 0.0 109.039 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.61 157.24 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.469 0.708 . . . . 0.0 111.577 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -42.38 -52.64 9.93 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.41 -28.79 26.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.956 1.771 . . . . 0.0 114.301 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -29.39 64.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.146 -0.971 . . . . 0.0 112.365 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -69.92 -47.26 63.15 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 0.0 111.212 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.06 -32.48 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.032 -1.043 . . . . 0.0 112.676 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -51.37 -47.23 62.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.412 1.485 . . . . 0.0 112.347 172.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.2 ptp -80.8 -34.07 34.32 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.61 0.641 . . . . 0.0 112.235 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -63.86 -33.11 74.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.391 0.541 . . . . 0.0 112.193 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.09 -54.03 51.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.525 0.73 . . . . 0.0 111.318 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -63.3 -38.44 91.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.481 1.112 . . . . 0.0 112.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -63.59 -33.93 76.69 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.71 -37.24 70.67 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.225 0.921 . . . . 0.0 112.272 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.48 -17.01 63.46 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.29 -13.26 3.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.9 p -114.36 -5.88 12.92 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -155.78 19.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.2 t -60.55 152.25 26.56 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.521 -1.362 . . . . 0.0 112.179 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -58.46 -42.6 87.83 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.267 -0.896 . . . . 0.0 111.982 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.5 -35.97 78.24 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.612 -0.68 . . . . 0.0 112.392 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.41 -45.86 85.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.876 0.87 . . . . 0.0 111.428 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -65.52 -45.83 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.674 1.19 . . . . 0.0 110.982 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -60.55 -39.83 89.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.758 1.163 . . . . 0.0 112.373 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -68.9 -45.52 70.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.752 0.705 . . . . 0.0 111.839 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.44 80.65 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.158 0.983 . . . . 0.0 112.833 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.36 -43.85 72.75 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.219 -0.926 . . . . 0.0 112.41 172.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -58.87 -26.69 64.48 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.69 -32.92 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.191 1.396 . . . . 0.0 112.328 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.499 ' CZ ' HG12 ' A' ' 108' ' ' VAL . 14.4 m-85 -92.99 -24.26 18.42 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.903 1.281 . . . . 0.0 113.96 176.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.73 111.28 1.38 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.349 1.06 . . . . 0.0 110.252 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.34 -21.51 60.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -122.85 -15.23 7.47 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 19.88 78.92 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.168 0.89 . . . . 0.0 112.611 -168.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -83.52 -0.24 49.45 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.814 1.645 . . . . 0.0 114.261 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.53 17.72 75.13 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 119.362 0.983 . . . . 0.0 113.609 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 162.33 38.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -132.65 140.84 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.584 1.954 . . . . 0.0 108.613 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -66.21 142.72 57.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.48 -1.387 . . . . 0.0 111.252 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.4 95.41 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.001 -1.062 . . . . 0.0 112.831 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.07 -28.56 68.93 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.473 0.709 . . . . 0.0 112.869 174.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.95 -49.53 36.67 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.875 0.87 . . . . 0.0 111.163 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.63 -40.49 95.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.012 0.824 . . . . 0.0 110.825 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -58.01 -40.73 81.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.26 1.024 . . . . 0.0 112.5 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -59.02 -59.14 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.584 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.499 HG12 ' CZ ' ' A' ' 92' ' ' PHE . 1.6 t -59.31 -46.05 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.982 1.265 . . . . 0.0 111.202 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.5 mmt -66.88 -14.6 62.91 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.0 p -120.33 8.57 10.85 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -106.61 -45.28 4.27 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.206 1.402 . . . . 0.0 111.398 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.11 157.53 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 111.394 -167.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.02 -148.45 50.95 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 121.721 0.623 . . . . 0.0 113.878 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -71.44 -12.92 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.085 1.754 . . . . 0.0 114.739 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.2 129.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.004 2.521 . . . . 0.0 112.54 -166.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.59 150.96 26.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.279 0.632 . . . . 0.0 109.446 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.95 159.82 29.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.954 0.902 . . . . 0.0 110.717 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -49.83 -46.5 51.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.321 1.448 . . . . 0.0 114.055 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -79.99 -21.7 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 0.0 113.007 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.6 -41.13 21.97 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.809 1.643 . . . . 0.0 111.789 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.37 -34.69 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.706 -0.621 . . . . 0.0 111.136 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.21 -44.09 84.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.446 0.698 . . . . 0.0 111.255 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.36 -40.56 74.73 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.643 0.777 . . . . 0.0 111.617 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.36 -51.0 69.92 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.871 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.98 -34.31 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 120.53 1.514 . . . . 0.0 111.752 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -59.42 -28.7 67.17 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.625 1.102 . . . . 0.0 113.591 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.27 -22.54 8.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.637 1.575 . . . . 0.0 113.829 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.17 -34.24 61.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.907 2.083 . . . . 0.0 112.506 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.87 137.85 32.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.134 1.374 . . . . 0.0 110.439 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.0 -31.77 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.668 1.187 . . . . 0.0 114.078 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -147.42 -2.48 0.58 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.4 25.97 34.64 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.794 1.187 . . . . 0.0 114.475 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -73.85 -10.31 59.53 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.732 1.213 . . . . 0.0 114.123 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.88 20.64 23.38 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.28 1.895 . . . . 0.0 113.823 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -129.45 104.22 7.35 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.709 1.604 . . . . 0.0 110.196 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.7 t -73.21 131.09 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.86 89.11 3.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 122.386 1.089 . . . . 0.0 111.652 170.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -62.36 -27.8 69.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.238 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.79 -27.84 69.17 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.387 0.994 . . . . 0.0 113.174 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -86.54 -37.91 17.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -61.91 -41.86 98.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.364 1.066 . . . . 0.0 112.804 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.6 p -60.15 -42.44 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.332 1.053 . . . . 0.0 112.084 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -64.96 -43.3 93.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 111.004 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.6 ttp -61.41 -45.56 93.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.622 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.8 mtm -66.97 -38.98 87.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.4 p -84.98 -21.04 29.67 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.67 137.41 55.54 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.385 0.993 . . . . 0.0 112.827 175.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.251 1.143 0 C-N-CA 124.89 1.276 . . . . 0.0 110.553 169.658 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 CA-C-O 119.41 -0.661 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.97 141.18 76.24 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.254 2.636 . . . . 0.0 112.345 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 72.98 10.74 78.18 Favored Glycine 0 CA--C 1.538 1.516 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 138.12 57.92 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.021 1.411 . . . . 0.0 113.218 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -155.49 11.5 0.32 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -52.91 -38.28 61.67 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.796 1.638 . . . . 0.0 114.671 -169.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.47 -47.25 69.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.817 1.247 . . . . 0.0 111.92 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -87.05 -36.45 18.17 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.557 0.743 . . . . 0.0 112.192 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -55.17 -49.27 72.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 0.0 111.987 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -71.07 -19.45 62.48 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.7 m -101.95 -32.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.637 1.175 . . . . 0.0 112.334 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.7 m -59.49 -39.66 84.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.564 1.146 . . . . 0.0 111.259 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.84 74.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.786 -0.572 . . . . 0.0 111.213 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.5 mt -61.29 -40.44 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.439 0.696 . . . . 0.0 111.442 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.93 -43.85 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.619 1.168 . . . . 0.0 111.153 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.44 -36.7 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.722 0.809 . . . . 0.0 110.509 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.07 -41.91 97.17 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 111.889 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -58.62 -50.54 73.46 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.559 0.744 . . . . 0.0 111.131 173.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.2 96.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.755 0.822 . . . . 0.0 112.439 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.21 -52.36 35.09 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -66.03 -26.8 67.68 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.491 -0.756 . . . . 0.0 112.648 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.34 -44.76 86.71 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.974 0.807 . . . . 0.0 111.1 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.69 -34.54 78.44 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.3 mt -52.78 -29.32 26.77 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.444 1.02 . . . . 0.0 113.054 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.81 -34.6 74.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.1 0.96 . . . . 0.0 112.727 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -67.84 -33.1 74.11 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.492 1.117 . . . . 0.0 112.428 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -73.29 -7.21 50.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -128.58 18.53 6.3 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.727 1.611 . . . . 0.0 114.208 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 8.9 p -65.55 147.26 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.534 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.57 136.47 56.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.443 1.097 . . . . 0.0 111.542 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 23.3 mmtm . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.314 2.245 . . . . 0.0 111.151 177.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.658 0.266 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -93.09 10.98 29.28 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.517 1.527 . . . . 0.0 114.175 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.76 139.93 58.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.161 -0.962 . . . . 0.0 112.727 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.6 148.64 31.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.35 1.06 . . . . 0.0 110.89 168.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 p -69.4 159.12 33.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.349 0.66 . . . . 0.0 110.403 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -56.98 -30.29 63.98 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.359 -0.838 . . . . 0.0 112.596 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -73.03 -42.45 63.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.487 1.115 . . . . 0.0 112.193 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -67.41 -39.76 85.53 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.679 -0.638 . . . . 0.0 112.405 173.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.51 -44.92 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.195 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.93 89.03 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.422 1.01 . . . . 0.0 113.212 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.42 -46.65 79.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.201 -0.937 . . . . 0.0 111.997 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -68.52 -33.19 73.69 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.532 0.733 . . . . 0.0 112.757 175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.47 -48.37 71.87 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.271 1.428 . . . . 0.0 110.898 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.65 -55.55 22.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.592 0.757 . . . . 0.0 111.311 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.29 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -75.66 -52.12 11.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.108 0.867 . . . . 0.0 111.801 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.8 p -64.35 -20.55 66.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -28.23 27.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.981 1.712 . . . . 0.0 112.924 168.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -116.7 1.48 12.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.006 1.322 . . . . 0.0 113.636 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.82 104.64 2.52 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.989 0.9 . . . . 0.0 110.161 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.79 -8.66 59.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.036 1.735 . . . . 0.0 114.988 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -119.39 -21.64 7.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.946 1.298 . . . . 0.0 114.295 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.74 10.24 84.47 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.813 1.196 . . . . 0.0 114.041 -171.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.15 -3.78 58.92 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.402 1.481 . . . . 0.0 114.393 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 29.51 38.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.287 0.946 . . . . 0.0 113.587 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -139.86 159.83 41.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.4 1.48 . . . . 0.0 112.643 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 pt -133.2 172.03 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 126.646 1.978 . . . . 0.0 110.608 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -84.26 161.36 20.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.518 1.151 . . . . 0.0 112.823 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 p -61.6 -23.99 66.38 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.44 1.096 . . . . 0.0 113.033 169.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -84.01 -33.69 24.49 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.0 -23.32 63.12 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.827 170.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.97 -59.14 3.3 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.221 1.373 . . . . 0.0 112.128 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.62 69.08 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.256 -0.902 . . . . 0.0 113.275 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 m -76.05 -36.51 59.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.988 0.915 . . . . 0.0 111.791 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.83 -39.74 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.79 0.836 . . . . 0.0 110.467 169.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.0 mtp -63.92 -42.11 97.48 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.18 -0.95 . . . . 0.0 112.1 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.6 -36.48 78.67 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 121.279 -0.888 . . . . 0.0 112.582 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -63.34 -36.26 83.12 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.872 0.869 . . . . 0.0 112.073 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -81.17 25.72 0.47 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.207 1.803 . . . . 0.0 113.531 169.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.54 15.56 77.51 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 168.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -141.48 128.63 20.91 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.296 1.548 . . . . 0.0 112.409 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -103.52 94.33 5.89 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.128 0.971 . . . . 0.0 111.506 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.7 156.33 66.43 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.677 2.918 . . . . 0.0 112.244 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -76.46 159.71 30.17 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.66 -0.65 . . . . 0.0 111.659 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -38.89 82.77 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.297 -0.877 . . . . 0.0 111.986 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.0 83.68 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.882 0.873 . . . . 0.0 112.334 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.4 -42.12 88.33 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.456 -0.778 . . . . 0.0 111.91 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.82 -47.75 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.653 -0.655 . . . . 0.0 111.226 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.53 -41.37 89.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.541 0.609 . . . . 0.0 112.168 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.38 -39.43 93.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.941 0.896 . . . . 0.0 113.068 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -70.91 -42.28 70.11 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.977 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -68.01 -28.75 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.26 1.024 . . . . 0.0 111.883 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -58.96 -33.17 70.34 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.078 1.308 . . . . 0.0 112.987 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -85.45 -46.78 10.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.412 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -68.18 -40.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 0.0 113.409 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -115.18 48.07 1.22 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.173 1.789 . . . . 0.0 111.837 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.77 62.75 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.085 -1.009 . . . . 0.0 113.229 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -78.17 -13.81 59.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.054 1.341 . . . . 0.0 114.045 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.56 29.62 69.58 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.817 1.199 . . . . 0.0 115.35 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -77.93 -16.93 57.8 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 118.725 1.262 . . . . 0.0 113.802 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.06 18.41 74.75 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.563 1.554 . . . . 0.0 114.514 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -137.35 160.17 39.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.887 1.275 . . . . 0.0 114.055 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.3 mt -142.53 136.15 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.879 2.072 . . . . 0.0 109.208 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.63 157.35 18.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.345 0.658 . . . . 0.0 111.529 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.45 -55.65 11.49 Favored Pre-proline 0 CA--C 1.547 0.852 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.81 -24.08 25.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.971 1.781 . . . . 0.0 113.624 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.11 -34.11 65.97 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.475 -0.766 . . . . 0.0 111.618 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.08 -40.41 90.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.523 -0.735 . . . . 0.0 112.417 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.42 -23.02 65.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -58.63 -37.73 76.53 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.891 0.769 . . . . 0.0 112.83 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.85 -31.97 25.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.13 0.572 . . . . 0.0 112.106 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -63.97 -34.99 79.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.124 0.569 . . . . 0.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.77 68.77 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.096 0.958 . . . . 0.0 112.997 171.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -80.56 -42.19 22.77 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.531 1.132 . . . . 0.0 112.136 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -60.57 -28.78 68.73 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.0 mtm -65.3 -14.3 60.44 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.12 -31.07 72.13 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.44 1.473 . . . . 0.0 114.077 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -122.45 126.13 47.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.396 1.079 . . . . 0.0 111.537 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -83.12 -21.86 33.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.616 1.166 . . . . 0.0 113.007 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -145.77 150.59 36.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.593 1.557 . . . . 0.0 112.248 -169.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.5 t -71.23 141.71 50.59 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.481 0.712 . . . . 0.0 112.297 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -57.75 -37.25 73.29 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.465 0.706 . . . . 0.0 111.934 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -39.28 92.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.806 0.842 . . . . 0.0 111.279 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -47.34 59.4 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.656 1.182 . . . . 0.0 111.728 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.64 -44.9 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.093 0.957 . . . . 0.0 110.604 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -63.79 -42.41 97.75 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.0 0.818 . . . . 0.0 111.985 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.96 -44.05 90.64 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.5 0.591 . . . . 0.0 111.996 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.59 83.5 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.4 1.08 . . . . 0.0 112.778 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.65 -43.54 76.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.124 -0.985 . . . . 0.0 112.077 172.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.81 -26.81 67.58 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.487 -0.758 . . . . 0.0 112.981 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.49 -31.3 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.046 0.938 . . . . 0.0 112.541 169.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.409 ' CE2' HG23 ' A' ' 108' ' ' VAL . 12.8 m-85 -92.16 -24.64 19.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.498 1.119 . . . . 0.0 113.83 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.07 118.28 5.66 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.362 0.983 . . . . 0.0 109.702 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -64.57 -23.52 67.29 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -149.43 1.47 0.53 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.64 56.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 120.672 -1.268 . . . . 0.0 112.943 -170.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -83.02 -2.3 54.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.261 1.424 . . . . 0.0 113.645 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.12 65.56 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 119.12 0.873 . . . . 0.0 113.109 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 162.0 40.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.463 1.105 . . . . 0.0 112.524 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.03 143.19 40.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 127.219 2.208 . . . . 0.0 107.936 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 150.95 43.48 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.884 -1.76 . . . . 0.0 112.568 175.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.913 -1.117 . . . . 0.0 112.345 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.28 -33.07 73.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.237 0.615 . . . . 0.0 111.905 173.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.97 -44.62 69.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.054 1.342 . . . . 0.0 112.796 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.01 -40.68 71.67 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.944 0.793 . . . . 0.0 110.861 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -59.01 -39.92 83.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.986 0.812 . . . . 0.0 112.002 173.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -57.32 -62.79 1.52 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 118.515 0.598 . . . . 0.0 110.672 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.409 HG23 ' CE2' ' A' ' 92' ' ' PHE . 14.8 p -64.83 -36.37 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.03 0.832 . . . . 0.0 112.834 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -69.44 -12.16 61.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 p -121.28 3.2 10.34 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.669 1.188 . . . . 0.0 113.832 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -109.09 -39.52 5.25 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.389 1.875 . . . . 0.0 112.494 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.7 mt -125.42 141.04 52.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.508 1.123 . . . . 0.0 111.248 -169.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.26 -146.88 30.94 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.14 -11.91 61.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.566 1.546 . . . . 0.0 114.92 -171.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.88 99.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.087 2.555 . . . . 0.0 114.435 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.45 150.85 38.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.772 1.229 . . . . 0.0 112.35 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 160.3 30.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.729 0.812 . . . . 0.0 110.161 169.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.33 -39.31 86.61 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.103 -0.998 . . . . 0.0 113.363 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -71.86 -33.5 68.46 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.943 -1.098 . . . . 0.0 112.439 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -40.77 66.04 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.962 1.305 . . . . 0.0 111.703 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.79 -33.65 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.434 -0.791 . . . . 0.0 111.582 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.61 -37.87 83.12 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.164 -0.96 . . . . 0.0 111.838 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -59.3 -38.79 81.12 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.313 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.1 ttm -59.93 -53.62 55.78 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.872 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.2 mm -58.51 -37.46 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 120.931 1.696 . . . . 0.0 111.585 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.0 ttp85 -57.26 -26.8 61.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.095 1.358 . . . . 0.0 114.2 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.79 -20.93 8.04 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.38 -33.69 61.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.027 2.131 . . . . 0.0 112.447 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -100.9 119.19 38.33 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.884 1.274 . . . . 0.0 109.885 168.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.79 -30.39 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.8 1.24 . . . . 0.0 112.187 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -99.59 -25.27 14.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.858 1.263 . . . . 0.0 113.638 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.63 13.16 83.48 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.181 1.372 . . . . 0.0 114.421 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -81.57 0.41 38.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.188 1.395 . . . . 0.0 114.045 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.75 22.87 14.81 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.4 1.952 . . . . 0.0 114.604 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.99 104.28 7.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.107 1.363 . . . . 0.0 110.779 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.8 t -72.88 128.46 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.112 0.565 . . . . 0.0 110.071 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -98.52 94.85 6.92 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.375 -0.828 . . . . 0.0 109.321 167.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -59.75 -29.12 67.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.824 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.63 -38.06 80.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.07 1.304 . . . . 0.0 112.672 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -74.65 -38.54 62.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.542 0.737 . . . . 0.0 111.309 170.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.04 -42.52 94.25 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.48 1.112 . . . . 0.0 113.38 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.2 -47.53 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 119.471 1.032 . . . . 0.0 109.355 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -66.94 -36.16 81.61 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.87 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.3 ttp -67.26 -48.16 68.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.002 1.321 . . . . 0.0 112.709 171.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.8 mtm -61.54 -42.61 99.08 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.129 0.877 . . . . 0.0 111.761 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p -85.59 10.75 12.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.494 1.518 . . . . 0.0 114.542 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 137.77 58.29 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.916 -1.115 . . . . 0.0 112.48 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.909 1.683 . . . . 0.0 113.408 -172.735 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 CA-C-O 118.392 -1.226 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -57.11 147.82 73.18 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.857 3.038 . . . . 0.0 114.357 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 76.76 120.92 0.17 Allowed Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.525 1.536 . . . . 0.0 113.403 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 166.97 25.76 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.15 163.1 27.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.241 2.217 . . . . 0.0 112.788 -173.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -50.77 -36.13 35.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.839 1.656 . . . . 0.0 114.433 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -58.31 -39.02 78.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.008 0.923 . . . . 0.0 113.141 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -85.76 -38.22 18.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.243 1.017 . . . . 0.0 112.506 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -55.51 -46.05 77.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.041 1.337 . . . . 0.0 112.069 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -66.63 -24.77 66.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 6.1 m -99.87 -31.66 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.274 1.03 . . . . 0.0 112.118 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.5 m -56.79 -40.58 76.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.774 1.23 . . . . 0.0 111.117 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.0 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.359 0.663 . . . . 0.0 110.839 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.99 -38.16 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.301 -0.874 . . . . 0.0 111.849 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.62 -43.45 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.92 1.288 . . . . 0.0 111.023 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.49 -41.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -55.1 -49.58 71.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.121 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -60.46 -52.79 63.7 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.149 1.38 . . . . 0.0 111.834 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.1 69.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.2 t80 -69.95 -49.51 51.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -66.99 -29.34 69.16 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.182 1.355 . . . . 0.0 111.202 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -60.21 -43.11 96.25 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.469 -0.769 . . . . 0.0 110.857 168.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 91.7 t80 -66.01 -39.48 90.29 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.51 -39.4 73.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.325 -0.859 . . . . 0.0 111.593 171.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.55 -29.59 68.19 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.208 -0.933 . . . . 0.0 113.093 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.83 -43.61 83.28 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.771 1.169 . . . . 0.0 111.178 169.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.9 -30.0 67.46 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -71.67 -17.65 62.23 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.594 1.158 . . . . 0.0 113.803 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 22.9 m -124.04 -20.19 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 51.6 pttt -73.16 158.73 34.71 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.937 1.244 . . . . 0.0 113.188 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.333 1.453 . . . . 0.0 112.462 176.358 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.694 0.283 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -132.95 25.33 4.28 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.681 1.592 . . . . 0.0 113.135 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -62.7 141.93 58.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.794 1.238 . . . . 0.0 111.937 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -87.16 143.35 27.34 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.1 p -70.59 161.51 30.56 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.031 0.932 . . . . 0.0 111.412 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -58.32 -34.08 70.2 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.176 -0.953 . . . . 0.0 112.158 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -69.73 -43.3 72.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.284 1.034 . . . . 0.0 112.505 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.52 -45.32 91.17 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.448 0.699 . . . . 0.0 111.143 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -45.05 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.999 0.919 . . . . 0.0 110.474 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.9 -36.29 83.89 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.883 0.765 . . . . 0.0 113.037 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.33 -45.79 79.03 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.251 -0.906 . . . . 0.0 111.902 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -65.38 -34.28 77.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.468 0.707 . . . . 0.0 112.669 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -54.32 -50.94 66.21 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.572 1.549 . . . . 0.0 111.641 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.54 -50.14 64.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.663 0.785 . . . . 0.0 111.666 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.0 74.22 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -74.66 -49.22 22.21 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.013 0.824 . . . . 0.0 112.258 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -60.11 -24.45 64.66 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.315 1.046 . . . . 0.0 112.7 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.13 -21.0 7.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.923 1.689 . . . . 0.0 114.593 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -129.77 7.44 5.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.553 1.541 . . . . 0.0 113.108 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -68.66 128.1 35.44 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.808 1.29 . . . . 0.0 111.359 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -69.56 -38.73 77.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.026 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -125.46 -14.17 6.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.41 7.59 82.28 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.852 1.215 . . . . 0.0 113.28 -169.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.9 1.93 52.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.857 1.663 . . . . 0.0 114.108 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.88 32.56 9.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.394 0.997 . . . . 0.0 114.915 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.0 p -139.75 152.97 47.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.038 1.419 . . . . 0.0 113.651 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.05 171.25 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 126.822 2.049 . . . . 0.0 110.656 173.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.1 p -84.54 155.55 22.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 122.224 1.012 . . . . 0.0 112.459 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -62.94 -25.65 68.44 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.921 0.888 . . . . 0.0 112.401 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -75.41 -38.0 60.1 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.47 -12.83 59.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -43.53 -57.51 3.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.819 1.248 . . . . 0.0 111.527 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.22 -21.9 74.18 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.665 -0.519 . . . . 0.0 114.204 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.01 -41.33 71.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.464 1.132 . . . . 0.0 110.193 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.298 1.4 m -71.35 -35.78 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.457 -0.783 . . . . 0.0 112.296 175.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.12 -38.24 70.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.177 1.353 . . . . 0.0 112.784 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -67.86 -23.02 65.09 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -69.53 -30.43 68.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.985 0.811 . . . . 0.0 112.087 169.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.17 2.76 38.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.778 1.231 . . . . 0.0 112.918 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.42 1.01 90.29 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.272 1.415 . . . . 0.0 115.845 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -91.62 125.46 36.36 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.482 1.641 . . . . 0.0 110.577 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.59 91.36 4.04 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.586 1.154 . . . . 0.0 108.783 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.25 151.8 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.899 3.066 . . . . 0.0 112.449 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -79.77 164.64 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.51 -35.56 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.927 -1.108 . . . . 0.0 112.049 172.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.17 82.98 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.953 0.901 . . . . 0.0 112.359 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.92 -47.17 86.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.436 0.694 . . . . 0.0 110.914 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.82 -49.29 78.08 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.682 -0.636 . . . . 0.0 112.46 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.88 -39.64 95.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.289 0.95 . . . . 0.0 112.02 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.94 -41.6 97.58 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.515 0.726 . . . . 0.0 112.302 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.6 mtm -68.27 -43.02 78.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.509 -0.744 . . . . 0.0 112.142 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.414 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 56.7 mt -66.36 -26.6 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 118.881 0.764 . . . . 0.0 111.954 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.19 -25.2 58.62 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.732 -1.23 . . . . 0.0 112.796 173.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -82.25 -17.21 46.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 13.0 m -121.17 -22.67 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -169.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.52 46.27 1.7 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.334 0.97 . . . . 0.0 113.362 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.47 -24.98 64.04 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.148 -0.97 . . . . 0.0 113.405 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -83.08 -8.08 59.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.946 1.298 . . . . 0.0 114.369 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.65 39.34 56.04 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -75.86 -23.08 55.64 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.932 1.293 . . . . 0.0 112.739 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.71 18.99 79.03 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 126.879 2.18 . . . . 0.0 115.088 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -135.4 157.88 45.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.127 1.371 . . . . 0.0 113.518 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 mt -139.8 137.62 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 127.011 2.124 . . . . 0.0 108.611 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.57 159.22 18.67 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.683 0.674 . . . . 0.0 111.722 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -48.73 -56.22 16.06 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.36 -21.33 30.86 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.945 1.764 . . . . 0.0 113.102 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -41.16 68.47 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.435 0.561 . . . . 0.0 111.307 173.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -60.35 -39.99 89.13 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.15 -0.969 . . . . 0.0 112.18 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.34 -22.54 65.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -38.62 87.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.728 . . . . 0.0 112.645 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.88 -32.23 25.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.721 -0.612 . . . . 0.0 111.915 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mmm -64.77 -36.93 85.89 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.697 -0.627 . . . . 0.0 112.465 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.13 78.09 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.145 0.578 . . . . 0.0 112.103 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -71.67 -38.48 70.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.305 1.042 . . . . 0.0 112.246 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -67.04 -26.06 66.57 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.14 -33.51 61.55 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.545 1.066 . . . . 0.0 112.559 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.62 -34.84 72.55 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.242 1.017 . . . . 0.0 112.522 173.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -58.03 164.11 2.46 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.602 1.961 . . . . 0.0 113.648 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.3 m -139.61 148.44 42.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.006 1.722 . . . . 0.0 110.801 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.8 153.67 10.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.979 1.312 . . . . 0.0 114.426 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -61.69 130.11 44.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.299 1.039 . . . . 0.0 113.525 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.95 -34.18 77.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.51 1.124 . . . . 0.0 112.466 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.43 -42.45 98.7 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.678 0.791 . . . . 0.0 111.687 171.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.72 -47.85 61.62 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.6 0.76 . . . . 0.0 111.948 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.79 -46.21 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.954 0.902 . . . . 0.0 110.245 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.47 -42.5 98.88 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.864 0.866 . . . . 0.0 112.507 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -72.51 -39.5 67.57 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.881 0.764 . . . . 0.0 112.712 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.23 79.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.345 1.058 . . . . 0.0 112.421 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.96 -43.89 81.95 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.092 -1.005 . . . . 0.0 112.135 170.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -60.28 -26.27 66.36 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.25 -31.12 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.129 1.372 . . . . 0.0 112.734 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' CE2' HG21 ' A' ' 108' ' ' VAL . 14.0 m-85 -91.86 -21.76 20.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.671 1.188 . . . . 0.0 113.922 175.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -58.68 125.28 22.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.114 0.966 . . . . 0.0 110.204 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -68.04 -28.22 67.2 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.827 1.251 . . . . 0.0 113.808 -170.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -137.11 -9.91 1.74 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.21 25.74 54.2 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.413 1.006 . . . . 0.0 112.68 -169.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -79.71 -4.62 52.65 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.512 1.525 . . . . 0.0 114.188 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 19.04 64.2 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.855 1.217 . . . . 0.0 113.69 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.4 164.21 34.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.104 1.362 . . . . 0.0 111.665 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.8 mt -131.11 137.67 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.305 1.842 . . . . 0.0 108.837 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 m -64.57 141.86 58.62 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.266 -1.521 . . . . 0.0 111.685 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.96 87.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.329 -0.857 . . . . 0.0 112.598 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.12 72.2 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -75.47 -42.22 53.61 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.923 0.889 . . . . 0.0 112.145 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.4 -40.08 81.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.024 0.829 . . . . 0.0 110.776 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -61.03 -40.53 93.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.47 0.708 . . . . 0.0 111.8 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -56.27 -62.78 1.48 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.535 0.734 . . . . 0.0 110.448 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.404 HG21 ' CE2' ' A' ' 92' ' ' PHE . 14.4 p -64.66 -36.31 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 119.067 0.849 . . . . 0.0 113.101 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -68.47 -15.06 63.41 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -118.38 -1.69 11.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.704 1.202 . . . . 0.0 114.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -103.56 -37.77 7.42 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.896 1.678 . . . . 0.0 112.595 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.3 mt -123.87 159.57 29.36 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.24 1.416 . . . . 0.0 110.666 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.14 -143.64 39.82 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.935 -0.575 . . . . 0.0 114.031 -170.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.13 -10.26 59.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.568 1.147 . . . . 0.0 113.547 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 60.08 103.18 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.14 2.576 . . . . 0.0 113.057 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.4 153.14 43.55 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.755 0.822 . . . . 0.0 111.82 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 160.66 28.16 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 121.636 -0.665 . . . . 0.0 110.407 169.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.77 -48.18 70.01 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -71.31 -29.79 65.46 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.917 -1.114 . . . . 0.0 112.467 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.84 -42.38 73.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.688 1.195 . . . . 0.0 111.537 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.61 -33.42 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.926 0.891 . . . . 0.0 111.981 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -63.95 -37.67 88.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.77 -1.206 . . . . 0.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -63.0 -25.02 68.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.813 0.845 . . . . 0.0 112.375 171.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.29 -53.56 13.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.097 0.862 . . . . 0.0 109.732 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.1 mm -58.05 -34.58 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.862 0.756 . . . . 0.0 111.284 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -48.84 -46.2 41.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.256 1.422 . . . . 0.0 113.03 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -43.62 12.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.43 0.634 . . . . 0.0 111.976 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.68 -35.6 72.89 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.445 1.898 . . . . 0.0 113.822 -168.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -76.53 67.22 2.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.556 1.542 . . . . 0.0 111.888 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.72 -30.5 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.606 1.562 . . . . 0.0 111.812 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.27 -18.8 60.68 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.75 10.11 63.58 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.11 1.338 . . . . 0.0 114.861 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -121.83 30.58 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.879 2.072 . . . . 0.0 112.427 -171.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.03 28.63 71.45 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.017 -1.052 . . . . 0.0 113.579 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -126.44 90.42 3.17 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.804 1.642 . . . . 0.0 108.993 -175.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.06 121.06 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 121.851 -0.531 . . . . 0.0 109.719 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -95.02 88.03 5.11 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.885 0.85 . . . . 0.0 109.928 172.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -59.13 -32.78 70.16 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.505 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -60.05 -41.04 91.48 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.261 1.391 . . . . 0.0 112.178 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -78.82 -30.88 45.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.953 0.901 . . . . 0.0 112.482 171.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.52 -38.94 91.91 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.474 -0.766 . . . . 0.0 112.543 174.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.38 -49.49 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.166 0.894 . . . . 0.0 109.635 172.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -64.7 -34.17 77.68 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.902 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.78 -48.34 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.401 1.48 . . . . 0.0 113.132 172.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.18 -37.99 87.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.588 1.086 . . . . 0.0 112.027 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.9 p -83.34 2.13 37.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.382 1.473 . . . . 0.0 114.709 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.8 153.0 43.08 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.178 -0.951 . . . . 0.0 112.876 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.854 1.662 . . . . 0.0 110.84 172.828 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 CA-C-O 119.897 -0.391 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.43 -11.93 20.7 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.758 2.972 . . . . 0.0 114.911 -174.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 74.21 8.39 79.2 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.407 1.003 . . . . 0.0 115.201 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 68.3 m -143.99 166.16 25.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.921 2.089 . . . . 0.0 111.161 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 64.7 pttt -65.46 -0.13 1.8 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -49.16 -38.42 25.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.096 1.758 . . . . 0.0 113.843 -174.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.99 -39.79 82.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.643 1.177 . . . . 0.0 112.972 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -84.51 -39.39 18.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.244 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.16 -46.2 79.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.144 1.377 . . . . 0.0 112.089 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.87 -24.39 66.12 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.4 m -101.11 -30.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.752 1.221 . . . . 0.0 112.487 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 69.6 m -55.86 -39.92 72.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.493 1.117 . . . . 0.0 110.66 169.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.63 88.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.539 0.736 . . . . 0.0 110.255 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.04 -38.16 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.239 -0.913 . . . . 0.0 112.39 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.8 mt -58.78 -44.03 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.244 1.017 . . . . 0.0 110.669 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -70.76 -39.47 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.168 0.987 . . . . 0.0 110.896 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.38 -43.07 99.51 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.55 1.068 . . . . 0.0 111.588 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -60.46 -49.19 78.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.102 0.961 . . . . 0.0 111.323 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.9 75.06 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.37 0.668 . . . . 0.0 112.699 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.05 -52.11 31.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -29.26 69.47 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.766 1.167 . . . . 0.0 111.67 175.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -62.68 -40.19 96.32 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.335 0.97 . . . . 0.0 111.83 169.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 60.3 t80 -70.42 -33.85 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.762 1.225 . . . . 0.0 113.227 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.89 -34.44 65.54 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.259 -0.901 . . . . 0.0 112.335 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.67 -21.72 62.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 90.3 mttt -83.43 -45.07 14.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.442 1.497 . . . . 0.0 111.882 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -0.08 49.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -176.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.24 144.09 36.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.071 1.348 . . . . 0.0 114.189 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 7.2 p -66.45 148.85 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.885 1.274 . . . . 0.0 112.025 176.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -63.64 135.49 56.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 111.356 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.427 1.891 . . . . 0.0 112.614 179.648 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -76.03 -10.69 59.62 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -68.85 130.61 43.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.071 -1.018 . . . . 0.0 111.311 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.11 132.71 34.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 110.786 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -86.81 165.51 15.94 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.883 1.273 . . . . 0.0 110.33 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.96 -28.88 68.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.203 -0.936 . . . . 0.0 112.359 171.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.19 -42.42 65.87 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.022 0.929 . . . . 0.0 112.192 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -65.64 -38.73 90.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.546 -0.721 . . . . 0.0 112.024 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.2 mt -66.2 -39.62 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.812 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.59 88.37 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.649 1.113 . . . . 0.0 112.815 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.84 -47.22 81.64 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.228 -0.92 . . . . 0.0 111.684 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -67.29 -34.57 77.68 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.638 0.775 . . . . 0.0 111.786 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.07 -53.57 51.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.647 1.579 . . . . 0.0 110.491 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.44 -52.25 59.0 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.51 71.57 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -74.13 -50.89 17.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.693 0.797 . . . . 0.0 111.721 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -25.24 66.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.747 1.219 . . . . 0.0 112.635 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.59 -23.05 15.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.644 1.578 . . . . 0.0 114.018 171.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -117.92 0.26 11.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.855 1.662 . . . . 0.0 113.252 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -73.02 114.2 10.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.325 -0.86 . . . . 0.0 110.411 172.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.45 -11.94 50.41 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.75 -21.75 8.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.753 1.221 . . . . 0.0 114.093 -175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.08 7.39 88.57 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.547 1.07 . . . . 0.0 113.963 -170.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.89 -3.96 53.18 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.364 1.466 . . . . 0.0 114.06 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 33.32 20.44 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.562 1.077 . . . . 0.0 113.814 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -139.97 159.37 42.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.589 1.156 . . . . 0.0 113.579 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 pt -137.23 170.81 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 127.261 2.224 . . . . 0.0 110.954 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -83.0 159.57 22.18 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.169 0.985 . . . . 0.0 112.768 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.5 p -61.0 -25.47 66.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.411 1.085 . . . . 0.0 112.748 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.29 -42.58 65.35 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.679 1.192 . . . . 0.0 112.455 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.36 -16.74 61.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.69 1.196 . . . . 0.0 113.881 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -57.69 6.48 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.394 1.078 . . . . 0.0 111.391 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -26.5 70.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.497 -0.752 . . . . 0.0 113.238 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 m -74.53 -36.8 63.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.287 1.043 . . . . 0.0 111.874 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.27 -39.75 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 123.467 0.707 . . . . 0.0 110.239 169.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.7 mtp -65.38 -39.21 91.98 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.867 -1.146 . . . . 0.0 112.618 172.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -61.57 -35.94 79.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.228 0.922 . . . . 0.0 112.325 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -63.41 -36.39 83.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.52 0.728 . . . . 0.0 111.964 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.24 27.84 0.47 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.149 1.779 . . . . 0.0 113.88 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.56 15.63 73.31 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 117.362 1.705 . . . . 0.0 117.362 168.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -140.16 132.86 28.93 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.572 1.686 . . . . 0.0 112.432 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -112.23 86.23 7.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.565 1.146 . . . . 0.0 111.784 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.62 154.61 72.96 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.775 2.983 . . . . 0.0 112.565 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -74.88 163.09 28.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.873 0.869 . . . . 0.0 111.755 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.32 -35.98 76.86 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.127 -0.983 . . . . 0.0 112.189 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.23 74.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.874 0.87 . . . . 0.0 112.252 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.25 -41.12 97.12 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 0.0 111.553 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.4 mt -61.6 -47.59 84.77 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.292 0.637 . . . . 0.0 111.707 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.54 -40.88 88.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.128 0.877 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.57 -37.62 88.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.063 0.945 . . . . 0.0 112.989 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.8 mtm -73.87 -40.0 63.53 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.9 0.773 . . . . 0.0 112.54 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.6 mt -65.25 -28.83 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -57.79 -30.37 65.62 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.9 1.227 . . . . 0.0 113.599 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.88 -17.92 49.02 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 174.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.62 -42.5 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.102 1.761 . . . . 0.0 113.049 -169.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -122.37 48.67 1.71 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.148 1.779 . . . . 0.0 112.222 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.36 -24.1 64.81 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.214 -0.929 . . . . 0.0 113.161 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.83 -13.67 59.82 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.986 1.314 . . . . 0.0 113.937 174.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.04 30.95 69.55 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.675 1.131 . . . . 0.0 115.05 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -76.65 -17.98 58.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.608 1.204 . . . . 0.0 113.536 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.58 18.39 73.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.579 1.561 . . . . 0.0 114.556 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.8 p -134.14 160.06 38.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.991 1.317 . . . . 0.0 113.904 -174.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.8 mt -141.93 136.4 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.072 2.149 . . . . 0.0 109.192 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.73 157.1 17.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.52 0.728 . . . . 0.0 111.409 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -45.1 -55.86 10.36 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.84 -23.32 26.01 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.711 1.607 . . . . 0.0 113.573 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.0 -30.02 61.04 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.557 -0.715 . . . . 0.0 111.916 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -67.32 -41.75 84.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.856 0.862 . . . . 0.0 112.408 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.67 -21.1 65.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -59.76 -38.03 80.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.707 0.685 . . . . 0.0 112.65 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -83.7 -29.65 27.38 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.437 -0.789 . . . . 0.0 112.536 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mmm -61.12 -38.39 86.19 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.138 0.575 . . . . 0.0 110.969 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.38 77.19 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.13 -42.46 80.16 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.011 -1.056 . . . . 0.0 111.892 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.54 -28.11 69.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.952 0.901 . . . . 0.0 112.902 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mtp -80.5 -6.03 57.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.721 1.608 . . . . 0.0 114.746 173.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -77.75 39.87 0.29 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.318 1.447 . . . . 0.0 114.749 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.31 120.42 10.37 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.996 -1.065 . . . . 0.0 110.106 169.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.3 m -142.59 136.39 29.16 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.857 1.263 . . . . 0.0 111.096 -169.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -90.48 121.52 32.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.153 0.981 . . . . 0.0 111.122 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.7 t -73.7 131.07 41.22 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.938 0.895 . . . . 0.0 112.676 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -58.98 -42.18 89.36 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.444 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -75.88 -29.31 58.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.321 -0.862 . . . . 0.0 112.377 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -67.91 -44.49 76.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.665 -0.647 . . . . 0.0 111.492 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -58.29 -47.08 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.867 0.867 . . . . 0.0 110.165 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -55.97 -49.06 74.61 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -69.0 -38.95 79.57 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.152 0.887 . . . . 0.0 112.275 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.6 1.16 . . . . 0.0 113.532 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.1 -42.85 36.42 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.236 -0.915 . . . . 0.0 110.989 168.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -61.15 -28.88 69.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.478 1.111 . . . . 0.0 113.753 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.5 -19.93 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 170.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -96.66 -16.16 21.11 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.212 1.405 . . . . 0.0 113.592 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -59.43 135.37 57.64 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.225 1.41 . . . . 0.0 111.497 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.43 -35.35 75.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.456 1.502 . . . . 0.0 113.701 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -150.64 9.17 0.6 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 26.44 66.11 Favored Glycine 0 CA--C 1.54 1.616 0 O-C-N 120.792 -1.193 . . . . 0.0 112.253 -168.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -83.39 -3.24 57.35 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.083 1.753 . . . . 0.0 114.004 -173.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 19.65 56.78 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.503 1.525 . . . . 0.0 114.096 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 166.31 31.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.921 1.288 . . . . 0.0 111.485 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.67 136.46 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.623 1.569 . . . . 0.0 109.396 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m -66.65 142.94 57.27 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.646 -1.284 . . . . 0.0 111.912 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.92 90.09 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.245 -0.909 . . . . 0.0 112.802 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.38 72.02 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -73.04 -44.29 60.95 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.76 0.824 . . . . 0.0 111.776 176.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.4 tp -69.07 -37.52 78.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.829 0.741 . . . . 0.0 111.324 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -61.65 -38.51 87.98 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.889 -1.132 . . . . 0.0 111.722 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -60.9 -61.11 2.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.352 171.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 m -58.19 -39.4 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.983 1.719 . . . . 0.0 112.732 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -75.29 -13.85 60.46 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.9 p -119.9 -4.05 10.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.063 1.345 . . . . 0.0 114.219 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.43 -23.63 15.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 113.083 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mt -131.94 169.38 16.38 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.565 1.546 . . . . 0.0 111.018 -169.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.25 -139.44 40.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 121.885 0.714 . . . . 0.0 114.322 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -78.14 -7.14 56.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.195 1.398 . . . . 0.0 112.8 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt 53.91 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.936 2.894 . . . . 0.0 113.311 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.62 152.7 29.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.323 1.049 . . . . 0.0 112.727 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -69.01 161.08 29.74 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.405 1.082 . . . . 0.0 111.03 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -56.29 -48.79 75.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.018 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.81 -32.02 68.97 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.271 -0.893 . . . . 0.0 112.469 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.13 -43.92 73.4 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.404 1.482 . . . . 0.0 111.931 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -73.87 -32.66 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 123.503 0.721 . . . . 0.0 111.874 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.13 -36.39 74.75 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.878 -1.139 . . . . 0.0 111.622 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.82 -30.33 65.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.877 0.871 . . . . 0.0 112.114 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -66.41 -56.39 11.27 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.931 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.3 mm -57.02 -37.94 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.782 1.174 . . . . 0.0 112.136 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -55.75 -23.75 31.24 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.395 1.478 . . . . 0.0 114.551 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -123.2 -27.09 4.21 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.912 1.285 . . . . 0.0 114.088 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -33.7 75.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.519 1.928 . . . . 0.0 112.062 172.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.94 116.95 34.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.596 1.158 . . . . 0.0 109.578 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.3 -29.26 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.903 1.281 . . . . 0.0 112.12 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -98.16 -27.83 14.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.75 1.22 . . . . 0.0 113.624 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.08 11.83 81.87 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.243 1.401 . . . . 0.0 114.657 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -78.42 -3.55 43.88 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.203 1.401 . . . . 0.0 114.26 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.44 26.16 10.29 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.219 1.866 . . . . 0.0 114.014 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -129.33 97.65 4.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 t -66.08 129.26 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.67 -0.643 . . . . 0.0 109.606 169.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.86 92.09 4.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.104 0.954 . . . . 0.0 110.32 171.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -62.68 -24.09 67.46 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.395 -172.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.3 -33.97 77.05 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.466 1.03 . . . . 0.0 113.381 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.68 -39.73 43.91 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.44 -0.788 . . . . 0.0 110.806 169.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.88 -44.62 80.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.72 0.808 . . . . 0.0 113.067 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.33 -41.75 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.199 0.999 . . . . 0.0 111.702 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.02 -45.02 90.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.375 1.07 . . . . 0.0 112.428 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.6 ttp -64.69 -45.41 86.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.561 0.745 . . . . 0.0 112.378 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.8 ttp -66.53 -39.34 88.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.452 1.501 . . . . 0.0 111.924 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 81.8 p -86.46 -2.11 58.16 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.98 152.86 22.69 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.67 1.123 . . . . 0.0 113.93 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.214 1.406 . . . . 0.0 112.264 175.655 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.58 150.87 79.47 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 124.141 3.227 . . . . 0.0 114.13 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -170.24 130.44 2.02 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.27 0.938 . . . . 0.0 113.245 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 35.6 t -159.78 167.53 28.01 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.857 2.063 . . . . 0.0 109.822 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.6 -41.92 61.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.685 1.194 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -56.25 -32.84 64.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.174 1.39 . . . . 0.0 113.493 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 81.9 tttt -63.47 -40.36 96.91 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.049 1.34 . . . . 0.0 112.452 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -83.4 -40.58 19.17 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.922 0.889 . . . . 0.0 112.102 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.31 -47.93 77.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.45 1.5 . . . . 0.0 111.81 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.23 -29.35 70.45 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.7 m -93.31 -32.56 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 61.2 m -59.3 -41.03 88.01 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.728 1.211 . . . . 0.0 111.028 172.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -54.92 -44.63 74.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.76 -0.588 . . . . 0.0 110.942 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -60.77 -36.09 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.887 0.875 . . . . 0.0 112.134 -172.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.5 mt -58.71 -42.01 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 111.032 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.81 -40.13 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.396 1.078 . . . . 0.0 110.581 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.87 -42.33 99.72 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.293 1.406 . . . . 0.0 112.281 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -56.4 -55.64 31.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.692 1.197 . . . . 0.0 110.734 172.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.89 78.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.898 0.879 . . . . 0.0 112.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.85 -50.81 63.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.28 0.632 . . . . 0.0 111.934 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -63.26 -34.17 77.08 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.592 -0.692 . . . . 0.0 112.153 173.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -56.28 -45.91 79.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.046 0.938 . . . . 0.0 110.495 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -66.48 -40.87 89.54 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.782 0.833 . . . . 0.0 112.778 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.04 -37.03 76.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 112.414 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.35 -46.86 59.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.0 0.92 . . . . 0.0 111.779 171.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.996 1.718 . . . . 0.0 113.385 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -58.27 -11.62 2.89 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.44 -35.17 80.06 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.945 1.248 . . . . 0.0 112.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 48.2 t -74.28 142.34 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.668 1.587 . . . . 0.0 110.46 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -119.97 156.73 30.28 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.584 1.554 . . . . 0.0 111.484 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.992 1.717 . . . . 0.0 111.544 -174.161 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.516 0.198 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -74.43 74.7 1.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 111.505 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -140.93 154.49 46.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.349 1.86 . . . . 0.0 111.53 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.76 149.62 28.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 112.302 174.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 p -73.84 161.0 30.64 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 0.0 111.06 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -60.29 -33.03 71.77 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.872 -1.142 . . . . 0.0 112.497 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.47 -43.79 76.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.12 0.968 . . . . 0.0 112.225 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -62.23 -44.64 96.12 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.332 0.653 . . . . 0.0 111.218 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.18 -44.36 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 110.64 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.8 81.71 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.687 0.795 . . . . 0.0 113.092 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -66.15 -46.59 76.95 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.262 -0.899 . . . . 0.0 112.004 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.5 -33.38 75.8 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.63 0.772 . . . . 0.0 112.316 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -52.91 -51.41 61.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.746 1.618 . . . . 0.0 110.997 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.44 -50.82 57.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 0.0 111.643 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.79 70.99 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.14 -50.99 16.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.153 0.981 . . . . 0.0 111.541 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -59.79 -26.38 65.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.559 1.143 . . . . 0.0 112.686 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.97 -22.14 14.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.699 1.6 . . . . 0.0 114.108 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -121.1 4.58 10.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.905 1.682 . . . . 0.0 113.179 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -71.56 111.62 7.01 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.308 173.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -74.17 -19.11 60.66 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -120.75 -21.38 6.67 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -170.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.72 9.08 85.09 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.85 1.214 . . . . 0.0 113.956 -170.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -83.16 -2.82 56.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.345 1.458 . . . . 0.0 114.243 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.28 32.25 26.05 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.579 1.085 . . . . 0.0 113.679 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -138.75 159.09 42.95 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.206 1.402 . . . . 0.0 112.613 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -131.64 169.82 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.534 1.934 . . . . 0.0 110.39 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.8 p -82.35 157.88 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 112.049 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 p -60.7 -27.51 67.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.945 0.898 . . . . 0.0 112.53 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.47 -43.41 77.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.53 1.132 . . . . 0.0 112.663 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -80.8 -6.64 58.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -55.69 17.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.772 1.169 . . . . 0.0 111.112 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.27 72.98 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.23 -0.919 . . . . 0.0 113.204 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -67.38 -41.64 84.7 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.329 1.065 . . . . 0.0 111.488 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.31 -40.91 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 110.874 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.1 mtp -64.1 -37.55 87.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.936 -1.103 . . . . 0.0 112.649 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -67.2 -34.08 76.75 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.234 1.014 . . . . 0.0 113.162 173.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 t -62.89 -35.86 81.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.356 0.663 . . . . 0.0 111.769 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.73 20.99 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.904 1.681 . . . . 0.0 114.257 170.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.49 2.21 63.09 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.045 1.307 . . . . 0.0 116.131 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.54 179.53 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.539 1.169 . . . . 0.0 110.447 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -159.76 77.05 2.89 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.087 -1.008 . . . . 0.0 110.045 166.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -68.22 154.99 70.99 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.122 3.214 . . . . 0.0 112.522 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.5 p -77.74 161.74 27.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.908 0.883 . . . . 0.0 111.956 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -57.35 -42.47 82.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.293 -0.879 . . . . 0.0 111.477 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.97 99.52 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.13 0.572 . . . . 0.0 112.298 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.5 -45.2 72.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.277 0.631 . . . . 0.0 112.212 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.65 -46.82 86.32 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.291 0.636 . . . . 0.0 111.467 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.13 -37.85 88.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.896 0.878 . . . . 0.0 112.177 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.55 -40.34 89.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.503 -0.748 . . . . 0.0 112.746 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.1 mtm -68.2 -41.79 80.83 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.21 -0.931 . . . . 0.0 111.925 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.98 -29.73 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.085 0.954 . . . . 0.0 111.836 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.0 -31.13 69.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.048 1.295 . . . . 0.0 112.817 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -85.1 -47.8 9.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.603 171.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -67.94 -39.67 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.643 1.177 . . . . 0.0 113.577 -175.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -116.27 45.17 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.166 1.786 . . . . 0.0 112.283 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -26.13 63.53 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -85.79 -5.46 59.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.914 1.285 . . . . 0.0 114.337 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.09 40.3 56.76 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.497 1.046 . . . . 0.0 115.3 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -76.44 -22.98 53.95 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.113 1.365 . . . . 0.0 113.215 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 16.92 78.11 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.743 1.64 . . . . 0.0 114.445 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.3 p -138.1 159.46 41.98 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.321 1.448 . . . . 0.0 113.596 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.8 mt -139.86 136.02 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 127.133 2.173 . . . . 0.0 108.78 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.03 156.77 18.65 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.784 0.72 . . . . 0.0 111.374 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.47 -54.05 20.72 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.53 -23.28 27.47 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.808 1.672 . . . . 0.0 113.46 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.43 -37.15 63.4 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.51 -0.744 . . . . 0.0 111.478 174.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.25 -41.49 98.49 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.489 -0.757 . . . . 0.0 111.99 171.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.71 -19.13 64.7 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -36.54 79.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.556 1.071 . . . . 0.0 112.755 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.83 -34.51 24.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.736 -0.602 . . . . 0.0 112.202 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.56 -36.71 83.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.961 0.504 . . . . 0.0 111.115 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -42.6 72.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.635 0.774 . . . . 0.0 112.647 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -80.83 -39.52 26.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.072 0.949 . . . . 0.0 112.967 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -57.7 -37.95 74.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.315 1.046 . . . . 0.0 112.273 171.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.8 mmm -73.95 -21.85 59.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.296 . . . . 0.0 113.701 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 42.61 0.56 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.374 1.869 . . . . 0.0 112.957 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -62.45 114.16 3.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.744 2.018 . . . . 0.0 113.065 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 m -158.03 133.15 8.66 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.561 1.944 . . . . 0.0 110.175 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.59 31.15 0.41 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.917 1.687 . . . . 0.0 115.317 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 m 58.36 78.21 0.26 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.073 1.749 . . . . 0.0 113.282 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -54.7 -43.12 72.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.903 1.681 . . . . 0.0 114.269 -173.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.36 -33.95 75.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.469 0.708 . . . . 0.0 112.198 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -68.11 -44.26 76.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.53 -0.731 . . . . 0.0 111.294 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.31 -47.28 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.842 0.857 . . . . 0.0 110.275 174.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -56.87 -47.85 79.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.272 0.629 . . . . 0.0 112.574 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -70.81 -38.66 73.33 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.186 0.903 . . . . 0.0 112.547 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.51 68.58 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.856 1.262 . . . . 0.0 113.13 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.15 -42.56 31.36 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.161 -0.962 . . . . 0.0 111.39 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -61.78 -28.48 69.48 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.316 -0.865 . . . . 0.0 113.208 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.57 -23.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -92.35 -23.07 19.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.174 1.39 . . . . 0.0 113.317 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -68.79 71.21 0.21 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.992 1.317 . . . . 0.0 109.484 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -62.02 -19.74 63.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.761 1.624 . . . . 0.0 114.027 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -97.91 -14.36 20.7 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 114.218 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.35 36.96 63.09 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.382 1.468 . . . . 0.0 114.974 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -100.98 4.21 42.28 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -174.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.29 69.23 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 120.892 -1.13 . . . . 0.0 114.303 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -155.4 166.01 34.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.553 1.941 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -121.48 150.81 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.264 1.425 . . . . 0.0 108.904 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -77.42 142.79 39.05 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.377 -1.452 . . . . 0.0 111.122 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.38 79.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.974 -1.079 . . . . 0.0 112.804 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.5 72.36 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -73.76 -44.65 55.53 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.643 0.777 . . . . 0.0 111.814 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.51 -36.75 76.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.493 1.042 . . . . 0.0 111.096 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -62.71 -37.23 85.7 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.75 1.159 . . . . 0.0 111.898 169.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -60.63 -63.91 1.14 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.007 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.8 m -57.78 -38.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 121.265 1.848 . . . . 0.0 113.119 -174.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -76.07 -12.73 60.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 p -124.79 -6.58 7.38 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.689 1.195 . . . . 0.0 114.09 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -92.7 -24.64 18.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 112.777 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 mt -133.68 164.71 26.61 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.481 1.912 . . . . 0.0 109.917 -169.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.64 -153.75 51.07 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 173.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -78.97 51.19 1.1 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.531 1.932 . . . . 0.0 111.483 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -13.53 111.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.083 3.753 . . . . 0.0 114.81 -169.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.41 146.46 39.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.6 m -66.88 158.56 30.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.472 0.709 . . . . 0.0 110.087 171.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -52.48 -45.34 66.11 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.583 1.153 . . . . 0.0 113.556 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.09 -28.88 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.496 -0.753 . . . . 0.0 112.735 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.69 -43.8 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.604 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.43 -34.76 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 123.081 0.552 . . . . 0.0 111.194 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.16 -39.22 92.66 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.413 -0.805 . . . . 0.0 112.456 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -57.64 -44.44 85.62 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.941 0.896 . . . . 0.0 110.571 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.0 ttm -59.33 -47.01 87.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.152 0.981 . . . . 0.0 111.766 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.71 -47.43 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.606 1.094 . . . . 0.0 110.308 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -58.76 -26.65 64.2 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -107.71 -19.52 13.51 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.93 -28.85 21.25 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -77.33 67.16 3.23 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.55 1.54 . . . . 0.0 111.337 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.1 pt -63.57 -20.86 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.177 0.991 . . . . 0.0 113.484 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -81.72 -15.73 53.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.51 1.124 . . . . 0.0 113.584 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.85 31.57 80.85 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.523 1.059 . . . . 0.0 113.313 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -137.38 23.71 2.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.465 1.506 . . . . 0.0 113.358 -169.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.56 23.24 75.83 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.713 -1.242 . . . . 0.0 114.374 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -123.09 89.29 3.08 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.347 1.459 . . . . 0.0 109.506 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.06 107.92 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 124.322 1.049 . . . . 0.0 111.192 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -83.28 93.15 7.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.838 0.828 . . . . 0.0 110.395 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -64.84 -26.77 68.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.939 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.71 -34.49 73.96 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.738 1.154 . . . . 0.0 112.7 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -75.35 -39.71 58.99 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.276 -0.89 . . . . 0.0 110.596 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.51 -40.83 96.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.29 1.036 . . . . 0.0 113.423 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.02 -42.86 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.032 0.833 . . . . 0.0 111.484 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.62 -40.25 96.43 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.795 0.838 . . . . 0.0 112.06 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.9 ttp -65.9 -45.9 80.27 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.448 0.699 . . . . 0.0 112.434 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.5 mtm -67.77 -42.24 82.01 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 48.5 p -75.75 -12.14 60.13 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.35 121.26 13.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.264 0.938 . . . . 0.0 110.726 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.409 ' C ' ' HZ2' ' B' 1922 ' ' LYS . 88.5 tttt . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.29 1.436 . . . . 0.0 112.333 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.11 159.36 30.5 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 124.085 3.19 . . . . 0.0 114.424 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -66.34 -21.65 70.51 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 115.421 0.928 . . . . 0.0 115.421 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.5 m -67.22 130.92 44.63 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.509 1.154 . . . . 0.0 113.061 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -78.6 106.82 10.83 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.849 1.26 . . . . 0.0 109.75 169.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -54.14 -33.07 56.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -171.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.12 -36.78 77.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.061 0.944 . . . . 0.0 112.948 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -80.49 -33.05 36.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.919 1.287 . . . . 0.0 112.129 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -54.95 -48.66 72.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.381 1.472 . . . . 0.0 112.094 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.66 -26.95 66.46 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.6 m -94.4 -32.25 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.177 0.991 . . . . 0.0 111.848 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.6 m -58.07 -40.29 80.65 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.848 1.259 . . . . 0.0 111.401 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.98 77.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.761 0.425 . . . . 0.0 110.459 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.4 -37.24 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.474 0.709 . . . . 0.0 112.162 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -58.14 -43.48 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 110.731 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.78 -41.36 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.061 0.944 . . . . 0.0 111.002 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.99 -43.63 98.56 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.662 1.119 . . . . 0.0 112.526 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.02 -41.16 78.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.504 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.72 81.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.153 0.581 . . . . 0.0 112.173 169.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 53.4 t80 -69.91 -48.26 59.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.81 -31.7 72.75 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.011 -1.055 . . . . 0.0 112.041 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 46.1 tpt85 -63.96 -37.16 86.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.144 0.883 . . . . 0.0 112.069 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.0 t80 -71.22 -37.07 72.06 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.49 -34.44 58.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.371 -0.831 . . . . 0.0 112.554 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.44 -37.22 72.47 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.815 0.846 . . . . 0.0 112.499 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1922 ' ' LYS . . . . . 0.409 ' HZ2' ' C ' ' A' ' 148' ' ' LYS . 27.0 mtpp -68.35 -31.17 70.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.759 1.224 . . . . 0.0 112.342 177.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -76.94 -36.2 56.72 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.475 0.71 . . . . 0.0 112.228 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.64 -40.11 69.94 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.352 1.461 . . . . 0.0 113.661 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 49.2 t -62.73 133.57 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.063 0.945 . . . . 0.0 110.946 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -61.35 135.26 57.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.603 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.958 1.703 . . . . 0.0 111.533 172.703 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.662 0.267 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -86.71 -8.69 57.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.014 1.326 . . . . 0.0 114.296 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -61.88 149.02 41.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.101 -0.999 . . . . 0.0 113.679 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.99 144.56 25.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 p -82.97 160.63 21.98 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.004 1.322 . . . . 0.0 110.44 167.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -59.02 -30.28 67.89 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.287 -0.883 . . . . 0.0 112.891 172.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -71.26 -44.86 64.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.099 0.96 . . . . 0.0 111.901 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -62.35 -42.48 99.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.483 0.713 . . . . 0.0 111.04 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.0 mt -62.63 -43.59 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.509 -0.757 . . . . 0.0 111.044 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.61 76.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.666 1.121 . . . . 0.0 113.026 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.07 -45.34 85.71 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.79 -1.194 . . . . 0.0 111.576 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -68.1 -32.78 73.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -57.95 -50.24 74.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.803 1.641 . . . . 0.0 111.234 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.02 -49.79 71.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.199 0.599 . . . . 0.0 111.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.35 75.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -73.26 -48.2 36.76 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.308 0.958 . . . . 0.0 112.042 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -59.75 -25.25 64.71 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.333 1.053 . . . . 0.0 112.565 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.08 -20.79 10.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.773 1.629 . . . . 0.0 114.661 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -129.78 6.71 5.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.419 1.488 . . . . 0.0 112.983 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -67.57 130.38 42.84 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.157 0.983 . . . . 0.0 110.308 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -58.68 -35.07 72.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.342 1.857 . . . . 0.0 115.006 -172.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -158.25 9.94 0.16 Allowed 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.14 23.57 48.04 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 112.614 -168.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -81.02 -8.69 59.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.424 1.49 . . . . 0.0 113.766 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.75 59.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.9 1.238 . . . . 0.0 113.913 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.4 p -141.96 148.93 39.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.621 1.211 . . . . 0.0 113.5 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 pt -120.64 172.41 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.239 2.216 . . . . 0.0 110.524 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -85.56 157.86 20.28 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.24 1.019 . . . . 0.0 112.248 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 p -61.39 -29.77 70.13 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -74.33 -35.0 63.61 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -18.7 57.32 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.258 174.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.6 -60.13 2.14 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.032 1.333 . . . . 0.0 111.656 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.9 -26.07 68.49 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.923 -0.376 . . . . 0.0 113.501 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 m -73.76 -36.86 65.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.261 1.031 . . . . 0.0 111.574 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.326 2.0 m -71.17 -30.67 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 121.631 -0.668 . . . . 0.0 111.594 170.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.2 mtp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.034 -1.041 . . . . 0.0 112.082 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -60.31 -38.77 84.73 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.157 0.983 . . . . 0.0 111.992 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -63.0 -29.97 71.24 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.626 0.77 . . . . 0.0 112.813 171.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.37 23.29 3.0 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.401 1.88 . . . . 0.0 113.992 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.38 27.63 65.38 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 168.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.27 139.02 22.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.096 1.448 . . . . 0.0 112.352 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -109.89 88.17 6.48 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 123.861 0.864 . . . . 0.0 110.869 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -66.4 152.53 80.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.489 2.792 . . . . 0.0 112.09 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -73.19 161.07 30.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.443 0.639 . . . . 0.0 111.691 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -60.01 -37.39 79.6 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.229 -0.92 . . . . 0.0 111.796 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.95 79.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.017 0.927 . . . . 0.0 112.568 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -65.36 -44.42 87.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.7 0.8 . . . . 0.0 111.719 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.65 -46.7 89.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.351 0.66 . . . . 0.0 111.42 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.29 -41.05 88.06 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.618 0.767 . . . . 0.0 112.278 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.45 -42.86 95.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.772 0.829 . . . . 0.0 112.352 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.0 mtm -66.99 -42.28 85.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.471 -0.768 . . . . 0.0 112.072 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.84 -29.29 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.778 0.831 . . . . 0.0 111.714 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -62.62 -27.91 69.53 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.1 1.318 . . . . 0.0 113.024 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.3 -45.59 11.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.793 0.837 . . . . 0.0 112.459 171.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 t -71.17 -39.67 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.23 1.412 . . . . 0.0 113.473 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.58 48.32 1.3 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.124 1.77 . . . . 0.0 112.204 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -25.97 62.94 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -92.24 0.05 57.44 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.942 1.297 . . . . 0.0 114.221 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 41.15 70.68 Favored Glycine 0 CA--C 1.538 1.473 0 O-C-N 120.786 -1.196 . . . . 0.0 115.512 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -76.29 -22.77 54.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.144 1.378 . . . . 0.0 113.262 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.47 17.88 78.06 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.837 1.685 . . . . 0.0 114.374 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.1 p -139.58 160.52 39.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.125 1.37 . . . . 0.0 113.553 -173.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.29 135.81 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.613 1.965 . . . . 0.0 108.764 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.82 156.57 20.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.917 0.887 . . . . 0.0 112.434 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -46.54 -56.01 12.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.17 -22.23 30.49 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.783 1.656 . . . . 0.0 113.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -72.61 -38.67 67.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.835 0.743 . . . . 0.0 111.41 173.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.43 -40.42 96.52 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.381 -0.824 . . . . 0.0 112.244 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.81 -19.02 63.65 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -34.53 77.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.109 0.868 . . . . 0.0 112.96 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -83.92 -37.65 22.06 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.426 -0.796 . . . . 0.0 111.292 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.4 mmm -63.54 -21.26 66.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.74 75.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.994 0.918 . . . . 0.0 112.796 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.38 -35.94 8.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.497 1.519 . . . . 0.0 113.329 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.53 10.43 3.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.871 2.468 . . . . 0.0 113.857 172.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 ttm -58.78 116.29 3.65 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -168.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.35 45.1 1.15 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.814 1.646 . . . . 0.0 111.46 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.38 -19.55 35.84 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 48.2 p -64.28 145.81 55.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 0.0 112.429 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.91 134.33 56.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.581 1.152 . . . . 0.0 112.331 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.0 m -64.69 128.43 35.74 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.794 1.238 . . . . 0.0 114.315 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.18 -46.38 90.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 112.781 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.4 -32.94 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.952 0.901 . . . . 0.0 112.144 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -68.68 -46.8 68.11 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.615 0.766 . . . . 0.0 111.043 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.28 -46.87 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.12 0.968 . . . . 0.0 110.217 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.11 -43.59 95.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -72.16 -40.43 67.99 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.522 -0.736 . . . . 0.0 112.917 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -26.84 68.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.824 1.25 . . . . 0.0 112.957 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -76.07 -43.21 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.987 -1.071 . . . . 0.0 111.637 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -58.44 -31.56 67.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 0.0 113.346 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.53 -15.85 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 172.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE1' HG21 ' A' ' 108' ' ' VAL . 14.4 m-85 -98.71 -11.98 21.44 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.169 1.387 . . . . 0.0 113.694 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.78 116.84 4.73 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.291 0.951 . . . . 0.0 110.631 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -80.14 -18.54 49.49 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.091 1.357 . . . . 0.0 114.014 -169.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -122.46 -15.15 7.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.169 1.387 . . . . 0.0 114.349 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.7 20.0 74.73 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.906 1.241 . . . . 0.0 113.655 -171.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -99.3 3.79 46.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.775 1.63 . . . . 0.0 114.83 -170.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.64 26.22 47.22 Favored Glycine 0 CA--C 1.535 1.308 0 O-C-N 121.032 -1.042 . . . . 0.0 113.976 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.19 168.61 23.49 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.045 1.738 . . . . 0.0 109.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -127.67 138.02 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.917 1.287 . . . . 0.0 109.208 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -66.77 140.32 57.84 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.898 -1.126 . . . . 0.0 110.734 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.81 87.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.902 -1.124 . . . . 0.0 112.817 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.54 70.81 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.694 0.797 . . . . 0.0 112.91 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -75.24 -42.71 54.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.878 0.871 . . . . 0.0 111.872 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.8 -40.64 83.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.618 0.645 . . . . 0.0 110.461 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -59.62 -40.39 87.41 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.036 0.835 . . . . 0.0 112.081 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -57.46 -62.62 1.65 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.967 0.803 . . . . 0.0 110.622 172.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 92' ' ' PHE . 14.5 p -65.61 -35.33 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.085 0.857 . . . . 0.0 112.884 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mmt -69.17 -14.68 63.12 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.2 p -118.5 -3.23 10.93 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.13 -44.35 6.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.109 1.763 . . . . 0.0 112.223 172.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.1 mt -122.23 140.12 52.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 112.048 -167.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.33 -146.73 32.06 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 114.636 0.614 . . . . 0.0 114.636 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.97 23.2 0.14 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -170.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 24.91 100.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.424 3.49 . . . . 0.0 115.159 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.43 144.27 47.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.659 0.784 . . . . 0.0 111.288 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.78 160.65 27.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.739 0.816 . . . . 0.0 110.072 171.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -56.13 -45.13 79.67 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.757 -1.214 . . . . 0.0 113.553 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -72.61 -25.68 61.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.145 -0.972 . . . . 0.0 112.786 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.08 -42.03 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.734 1.614 . . . . 0.0 111.863 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.98 -34.47 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.653 0.781 . . . . 0.0 110.869 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -65.12 -42.77 93.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.375 0.67 . . . . 0.0 111.592 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -56.07 -42.84 77.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.462 0.705 . . . . 0.0 111.227 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.05 -50.38 71.12 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.025 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.2 mm -61.13 -34.04 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 120.503 1.501 . . . . 0.0 111.608 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -57.45 -34.68 69.24 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.425 1.466 . . . . 0.0 113.485 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.11 -19.76 12.93 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.514 1.526 . . . . 0.0 113.912 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.8 -33.71 27.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.885 . . . . 0.0 112.926 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.31 136.81 48.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.627 1.171 . . . . 0.0 112.84 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.5 pt -64.58 -31.22 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.858 1.263 . . . . 0.0 114.125 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -155.89 4.06 0.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.91 22.37 63.88 Favored Glycine 0 CA--C 1.54 1.625 0 O-C-N 120.888 -1.132 . . . . 0.0 112.486 -168.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.84 11.74 37.83 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.081 1.752 . . . . 0.0 113.471 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.72 20.24 71.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.674 1.607 . . . . 0.0 114.481 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.93 100.68 6.71 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.257 1.423 . . . . 0.0 110.319 -177.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.04 124.4 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.323 0.649 . . . . 0.0 110.603 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -93.33 98.27 11.14 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.173 0.987 . . . . 0.0 110.496 169.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -68.71 -26.27 65.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.491 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.04 -30.22 64.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.88 1.218 . . . . 0.0 112.066 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -75.11 -42.18 56.99 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 167.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.25 -44.37 95.35 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.605 1.162 . . . . 0.0 113.467 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.08 -47.93 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.863 0.865 . . . . 0.0 111.271 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -63.49 -34.65 78.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.488 0.715 . . . . 0.0 112.396 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.8 ttp -68.76 -45.69 70.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.423 0.689 . . . . 0.0 112.446 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.98 -40.22 94.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.066 0.848 . . . . 0.0 112.344 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 64.2 p -80.44 -3.7 50.85 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.17 144.67 53.24 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.141 1.376 . . . . 0.0 113.124 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.5 pttm . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.602 1.961 . . . . 0.0 112.038 -175.809 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 CA-C-O 118.758 -1.023 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -65.89 147.5 85.13 Favored 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 123.474 2.783 . . . . 0.0 112.681 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 74.24 18.87 79.87 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.183 0.897 . . . . 0.0 114.719 -176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 9.6 p 57.58 -177.34 0.06 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.504 2.322 . . . . 0.0 114.781 -172.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 8.2 1.79 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -32.3 47.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.734 1.213 . . . . 0.0 113.899 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.99 -35.81 64.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.932 1.293 . . . . 0.0 112.916 172.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -90.7 -40.93 11.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.302 1.441 . . . . 0.0 112.985 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.97 -46.85 75.11 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.002 1.321 . . . . 0.0 112.284 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -71.14 -18.88 62.49 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.6 m -103.92 -31.42 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.713 1.205 . . . . 0.0 111.907 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.1 m -57.01 -39.88 75.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.341 1.457 . . . . 0.0 111.747 172.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.74 77.82 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 110.146 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 98.4 mt -63.78 -39.05 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 120.846 -1.159 . . . . 0.0 112.076 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.3 mt -58.74 -42.02 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.204 1.001 . . . . 0.0 110.848 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.83 -39.68 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.191 0.996 . . . . 0.0 111.324 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -58.37 -46.34 86.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.747 1.158 . . . . 0.0 111.442 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -59.15 -53.33 59.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.105 1.362 . . . . 0.0 111.212 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.61 74.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.589 0.755 . . . . 0.0 112.782 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.8 t80 -70.88 -49.42 46.2 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.841 -0.537 . . . . 0.0 112.257 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -62.65 -33.61 75.39 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.537 1.062 . . . . 0.0 111.939 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -58.54 -45.81 88.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.002 0.921 . . . . 0.0 110.783 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -70.88 -31.44 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.266 1.426 . . . . 0.0 114.519 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.62 -32.12 58.36 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.817 1.19 . . . . 0.0 112.207 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.85 -31.88 72.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.069 0.948 . . . . 0.0 112.867 173.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 86.8 mttt -78.33 -18.47 55.14 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.486 1.914 . . . . 0.0 113.35 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.97 -28.92 69.35 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.017 0.927 . . . . 0.0 112.479 171.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.37 111.34 6.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.873 1.269 . . . . 0.0 110.144 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 4.0 t 51.94 53.09 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.656 1.582 . . . . 0.0 111.383 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.31 141.13 55.21 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.156 1.382 . . . . 0.0 112.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.353 1.861 . . . . 0.0 111.347 -179.007 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.489 0.185 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -80.55 -21.94 41.29 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -67.31 135.09 52.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.87 142.09 30.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.769 0.427 . . . . 0.0 111.783 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 p -71.08 161.78 30.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.56 0.744 . . . . 0.0 111.435 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.85 -34.46 71.6 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.982 -1.074 . . . . 0.0 112.238 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.68 -43.63 75.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.149 0.98 . . . . 0.0 112.246 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -63.73 -44.62 93.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.342 0.657 . . . . 0.0 111.292 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.73 -42.42 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.319 0.648 . . . . 0.0 110.561 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.63 87.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.198 0.908 . . . . 0.0 112.953 176.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.16 -41.17 86.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 112.024 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -68.53 -33.54 74.3 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.192 -0.942 . . . . 0.0 112.006 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -56.93 -53.05 62.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.524 1.529 . . . . 0.0 110.996 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.44 -26.74 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -43.01 64.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.881 0.872 . . . . 0.0 112.729 169.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.77 -48.22 40.14 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.345 -0.847 . . . . 0.0 112.587 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -63.35 -14.41 49.73 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.21 -20.96 61.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.802 1.241 . . . . 0.0 113.857 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -123.75 -4.64 8.13 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -68.35 116.94 9.5 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.436 -0.79 . . . . 0.0 109.683 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -95.63 -9.99 30.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.53 1.532 . . . . 0.0 114.984 -175.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.59 -20.54 11.67 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.865 1.266 . . . . 0.0 113.539 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 9.25 86.97 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.409 1.004 . . . . 0.0 113.169 -169.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -83.44 -2.63 56.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.796 1.638 . . . . 0.0 113.589 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 34.3 21.9 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.726 1.155 . . . . 0.0 113.973 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -139.49 155.95 47.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.529 1.164 . . . . 0.0 113.491 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.9 pt -131.32 169.89 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 127.008 2.123 . . . . 0.0 110.734 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 p -81.98 158.38 23.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 122.274 1.035 . . . . 0.0 112.667 168.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 p -61.38 -26.77 68.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.235 1.014 . . . . 0.0 112.589 171.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -68.7 -39.73 80.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 112.388 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.44 -18.77 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.6 -59.21 3.15 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.584 1.154 . . . . 0.0 111.629 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.25 -25.59 69.88 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 122.071 -0.393 . . . . 0.0 113.515 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.43 -39.45 71.06 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.222 1.011 . . . . 0.0 111.349 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.328 2.0 m -72.85 -28.79 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 O-C-N 121.304 -0.873 . . . . 0.0 111.761 172.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.5 mtp -66.52 -39.74 88.79 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.768 -1.208 . . . . 0.0 111.826 168.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.95 -36.35 79.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.953 0.901 . . . . 0.0 112.274 173.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 t -62.22 -34.8 77.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.683 0.793 . . . . 0.0 112.18 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.9 27.93 0.52 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.534 1.934 . . . . 0.0 114.07 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.75 14.8 70.55 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 116.708 1.443 . . . . 0.0 116.708 168.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -139.0 129.64 26.0 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.11 1.455 . . . . 0.0 112.11 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -104.84 93.59 6.42 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.694 1.198 . . . . 0.0 110.227 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.03 157.34 62.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.635 2.89 . . . . 0.0 113.02 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -73.71 151.61 40.66 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.732 1.213 . . . . 0.0 110.877 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -64.49 -36.16 83.28 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.991 -1.693 . . . . 0.0 113.37 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.66 72.1 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.705 0.802 . . . . 0.0 112.679 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -66.12 -45.2 81.95 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.577 1.151 . . . . 0.0 110.984 173.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.74 -45.21 92.92 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.611 0.764 . . . . 0.0 111.758 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.66 -41.11 89.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.656 0.662 . . . . 0.0 112.158 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.5 -45.02 80.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.497 0.719 . . . . 0.0 112.234 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtm -65.4 -32.43 74.05 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 112.783 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.28 -36.06 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -61.0 -30.97 70.6 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.814 1.643 . . . . 0.0 112.676 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.62 -17.39 61.17 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 172.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.93 -49.86 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.33 1.452 . . . . 0.0 113.488 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -102.47 49.07 0.85 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.647 1.979 . . . . 0.0 112.133 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -22.37 65.27 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.921 -1.112 . . . . 0.0 113.09 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.84 -14.97 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.784 1.233 . . . . 0.0 113.719 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.52 67.31 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.915 1.245 . . . . 0.0 115.125 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -77.0 -17.7 58.68 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.609 1.205 . . . . 0.0 113.789 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.89 19.29 73.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.386 1.469 . . . . 0.0 114.561 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -136.05 160.38 38.8 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.947 1.299 . . . . 0.0 113.804 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.5 mt -141.11 137.45 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.218 2.207 . . . . 0.0 108.692 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.25 156.62 18.17 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.846 0.748 . . . . 0.0 111.483 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -47.24 -54.84 18.53 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.05 -22.77 30.31 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.81 1.673 . . . . 0.0 113.302 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.69 -34.15 62.58 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.579 -0.701 . . . . 0.0 111.711 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -63.22 -42.19 99.23 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.446 -0.784 . . . . 0.0 111.88 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.35 -19.76 64.92 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -35.83 80.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.056 0.843 . . . . 0.0 112.947 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ptp -84.01 -33.25 24.58 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.639 -0.663 . . . . 0.0 111.853 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.6 mmm -62.45 -35.67 80.03 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.674 -0.641 . . . . 0.0 111.309 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.3 64.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.038 0.935 . . . . 0.0 113.503 170.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -80.71 -38.32 29.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.025 1.33 . . . . 0.0 113.074 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -66.81 -35.79 80.88 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.655 1.182 . . . . 0.0 112.528 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.2 mmm -75.0 164.82 26.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.262 1.825 . . . . 0.0 113.614 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -147.85 155.66 41.87 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.069 1.748 . . . . 0.0 111.192 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.53 152.43 30.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.945 0.898 . . . . 0.0 112.33 170.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -63.31 140.73 58.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.442 1.097 . . . . 0.0 113.29 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 62.21 10.69 3.94 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.5 m 56.9 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.939 2.495 . . . . 0.0 115.839 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.81 -42.5 71.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -67.67 -36.25 80.35 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.592 0.757 . . . . 0.0 111.625 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -42.94 80.87 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.11 0.964 . . . . 0.0 111.067 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.46 -47.23 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.076 0.951 . . . . 0.0 110.604 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -58.06 -45.39 87.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.237 0.926 . . . . 0.0 111.847 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -65.09 -45.51 84.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.318 0.647 . . . . 0.0 112.243 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.39 89.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.78 1.232 . . . . 0.0 112.464 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -66.05 -42.45 89.52 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.204 -0.935 . . . . 0.0 112.281 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.5 -21.75 66.76 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.286 -0.884 . . . . 0.0 113.307 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -68.74 -23.51 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.558 1.543 . . . . 0.0 112.519 168.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -97.47 -24.97 15.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.176 1.39 . . . . 0.0 113.589 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -58.98 117.6 4.85 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.232 1.013 . . . . 0.0 109.9 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -71.57 -16.74 62.32 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -169.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -143.25 2.17 1.27 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.11 23.03 78.5 Favored Glycine 0 CA--C 1.535 1.312 0 O-C-N 120.737 -1.227 . . . . 0.0 113.866 -175.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.34 -6.69 51.19 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.404 1.481 . . . . 0.0 113.895 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.53 53.27 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.624 1.107 . . . . 0.0 113.135 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.46 164.06 38.31 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.844 1.257 . . . . 0.0 111.559 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.66 139.11 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.99 1.716 . . . . 0.0 108.781 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -66.99 139.66 57.69 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.586 -1.321 . . . . 0.0 111.303 172.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.92 82.33 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.179 -0.95 . . . . 0.0 112.591 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.34 72.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.625 0.77 . . . . 0.0 112.973 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -74.73 -42.29 58.57 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.403 -0.81 . . . . 0.0 111.881 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.29 -40.21 86.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.089 0.859 . . . . 0.0 110.82 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.48 -38.67 90.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.81 0.844 . . . . 0.0 112.234 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -57.28 -63.48 1.21 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.026 0.531 . . . . 0.0 110.167 171.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.36 -37.51 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.867 0.758 . . . . 0.0 112.7 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.4 mmt -68.36 -16.69 64.02 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 p -113.87 5.27 16.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 170.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -109.63 -39.56 5.1 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.924 1.29 . . . . 0.0 113.122 174.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 34.6 mt -125.66 139.45 53.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 111.224 -168.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.85 -150.83 38.31 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-O 121.962 0.757 . . . . 0.0 114.41 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.17 16.19 0.26 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -168.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.04 107.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 129.606 3.162 . . . . 0.0 114.815 -176.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.56 136.9 56.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.06 -1.025 . . . . 0.0 109.194 168.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -64.82 161.93 17.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.727 1.211 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.89 -44.38 29.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.457 1.503 . . . . 0.0 114.499 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.61 -29.66 27.56 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.139 0.976 . . . . 0.0 113.024 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.08 -40.82 67.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.997 1.719 . . . . 0.0 112.387 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.32 -30.67 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.572 -0.705 . . . . 0.0 111.072 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.19 -37.63 63.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.15 0.98 . . . . 0.0 112.038 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -56.82 -40.89 76.84 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.104 1.362 . . . . 0.0 110.075 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -59.02 -55.98 28.12 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.985 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.65 -40.06 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 120.967 1.712 . . . . 0.0 111.007 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -62.23 -14.2 35.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.6 -13.49 7.51 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.79 -25.31 30.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.866 2.466 . . . . 0.0 113.34 170.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -69.11 147.09 51.94 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -170.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.7 mt -81.13 -49.37 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 125.913 1.685 . . . . 0.0 108.866 168.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -156.06 161.12 40.46 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.865 2.066 . . . . 0.0 110.521 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.04 -8.45 8.46 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.578 1.561 . . . . 0.0 115.83 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.9 -8.28 42.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.472 1.509 . . . . 0.0 113.736 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.68 33.23 5.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 116.324 1.289 . . . . 0.0 116.324 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -108.23 140.82 40.9 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.557 1.178 . . . . 0.0 111.108 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.3 t -114.31 131.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.456 1.902 . . . . 0.0 109.404 171.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -100.11 93.57 5.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 123.064 1.411 . . . . 0.0 112.69 171.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -60.19 -27.95 67.57 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.345 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.77 -24.87 66.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.198 0.908 . . . . 0.0 113.094 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -90.59 -36.88 14.18 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.499 -0.75 . . . . 0.0 111.387 167.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.59 -42.8 93.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.193 0.997 . . . . 0.0 112.784 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.86 -50.69 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.367 1.067 . . . . 0.0 111.831 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -64.18 -37.18 86.54 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.836 0.744 . . . . 0.0 111.793 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.38 -44.69 90.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.127 0.571 . . . . 0.0 112.11 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.0 mtm -65.99 -41.3 91.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.544 0.611 . . . . 0.0 112.566 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.8 p -77.42 -22.99 50.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.52 169.7 5.8 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.622 1.169 . . . . 0.0 113.838 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.279 1.832 . . . . 0.0 111.062 172.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 119.491 -0.616 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -55.57 144.68 73.45 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 124.081 3.187 . . . . 0.0 114.556 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 77.34 -16.88 5.57 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 125.426 1.489 . . . . 0.0 115.62 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m 50.15 35.91 11.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.625 1.97 . . . . 0.0 115.733 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -108.89 -14.06 14.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -168.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -59.77 -34.77 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.034 0.934 . . . . 0.0 113.509 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.83 -43.02 99.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.548 1.139 . . . . 0.0 112.495 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -75.18 -40.68 59.17 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.335 0.654 . . . . 0.0 111.755 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.41 -43.88 75.69 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.922 1.289 . . . . 0.0 112.054 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -66.84 -24.87 66.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.5 m -101.15 -30.1 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.529 1.132 . . . . 0.0 112.307 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.7 m -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.945 1.298 . . . . 0.0 110.691 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.58 84.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.539 0.736 . . . . 0.0 110.469 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -39.39 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.858 -1.151 . . . . 0.0 112.003 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -58.23 -43.93 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.568 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -72.99 -41.06 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.454 1.102 . . . . 0.0 111.406 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -55.52 -46.67 76.99 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.718 1.145 . . . . 0.0 111.215 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -68.63 -46.99 67.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.687 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.15 78.01 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.57 -49.99 55.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.814 -0.554 . . . . 0.0 112.066 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.92 -26.54 68.64 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.46 -0.775 . . . . 0.0 112.928 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -63.88 -46.47 84.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.854 1.262 . . . . 0.0 111.103 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.8 -33.16 75.0 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.794 1.238 . . . . 0.0 113.53 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 35.7 mt -55.65 -26.38 44.16 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.078 -1.014 . . . . 0.0 113.167 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.18 -28.49 69.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.212 0.915 . . . . 0.0 113.002 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -74.12 -37.15 64.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.745 1.218 . . . . 0.0 112.101 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -80.94 -26.51 36.62 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 54.4 tttm -74.64 65.21 1.29 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.903 1.681 . . . . 0.0 112.468 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.5 m -76.71 37.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.928 1.691 . . . . 0.0 112.965 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -155.34 162.95 40.71 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.097 1.759 . . . . 0.0 113.004 -172.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.245 1.418 . . . . 0.0 111.198 169.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.572 0.225 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.78 74.84 2.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.804 1.242 . . . . 0.0 111.278 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -137.01 146.14 44.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.634 1.574 . . . . 0.0 111.917 -172.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.43 147.44 26.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.541 1.136 . . . . 0.0 111.757 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.0 p -82.98 164.52 20.34 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.285 1.034 . . . . 0.0 111.271 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -57.64 -32.92 67.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.287 -0.883 . . . . 0.0 113.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.78 -50.7 72.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.052 1.341 . . . . 0.0 111.869 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.71 -44.06 87.25 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.205 1.002 . . . . 0.0 110.895 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.82 -43.74 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.655 0.782 . . . . 0.0 110.884 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.56 76.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.616 1.098 . . . . 0.0 112.974 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.3 -43.31 91.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.907 -1.121 . . . . 0.0 111.516 172.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -66.58 -33.82 76.52 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 0.0 112.516 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -59.2 -48.81 80.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.448 1.499 . . . . 0.0 110.943 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -47.88 78.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.784 0.834 . . . . 0.0 112.049 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.24 77.94 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.836 1.051 . . . . 0.0 113.836 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.45 -51.13 13.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.505 1.048 . . . . 0.0 112.321 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.8 p -63.39 -16.93 61.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.39 -22.92 21.87 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.194 1.398 . . . . 0.0 114.25 170.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -123.99 2.0 8.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.305 1.442 . . . . 0.0 113.479 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -71.1 106.41 3.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.517 0.675 . . . . 0.0 110.366 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -81.37 -11.29 59.34 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -115.22 -21.76 9.77 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.21 7.54 88.44 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.649 1.119 . . . . 0.0 114.034 -171.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -83.71 -2.13 55.57 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.473 1.509 . . . . 0.0 114.189 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.13 33.69 19.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.454 1.026 . . . . 0.0 113.61 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -140.33 158.07 44.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.56 1.144 . . . . 0.0 113.693 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.33 169.7 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 127.421 2.289 . . . . 0.0 110.004 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.42 ' HG1' ' CD ' ' A' ' 31' ' ' GLU . 30.0 p -87.12 162.78 17.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.984 -1.073 . . . . 0.0 113.138 169.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -58.58 -24.76 61.57 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.544 1.138 . . . . 0.0 112.618 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.47 -38.65 59.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.693 1.197 . . . . 0.0 112.789 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' CD ' ' HG1' ' A' ' 28' ' ' THR . 2.7 mp0 -74.79 -23.26 58.47 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.72 -61.78 1.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.107 1.363 . . . . 0.0 112.428 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -22.43 70.22 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 121.938 -0.476 . . . . 0.0 113.768 -177.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -71.68 -41.16 69.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.205 1.002 . . . . 0.0 110.646 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.31 1.4 m -71.64 -30.19 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.409 -0.807 . . . . 0.0 111.937 174.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.81 -39.47 93.63 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.005 -1.059 . . . . 0.0 111.826 168.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.31 -32.38 73.75 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.939 0.896 . . . . 0.0 113.225 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -62.89 -30.14 71.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.366 0.666 . . . . 0.0 112.373 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.67 17.62 3.84 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.118 1.767 . . . . 0.0 113.846 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 2.86 59.64 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.78 1.181 . . . . 0.0 115.54 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -81.02 176.39 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.254 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -159.71 79.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 121.13 -0.981 . . . . 0.0 109.952 166.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -66.93 152.25 80.71 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.857 3.038 . . . . 0.0 112.249 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -74.14 164.32 26.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.687 0.795 . . . . 0.0 111.886 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.98 -38.18 78.53 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.324 -0.86 . . . . 0.0 111.82 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.56 80.52 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.092 0.957 . . . . 0.0 112.687 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.81 -48.05 82.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.787 0.835 . . . . 0.0 111.624 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.28 -46.12 90.95 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.929 -0.482 . . . . 0.0 111.577 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.3 -41.26 93.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.636 0.653 . . . . 0.0 112.263 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.61 -41.14 93.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.811 0.732 . . . . 0.0 112.59 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -68.41 -40.65 81.19 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.477 -0.765 . . . . 0.0 112.018 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.88 -32.51 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.424 1.09 . . . . 0.0 111.722 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.2 -34.14 70.05 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.389 1.45 . . . . 0.0 113.479 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -80.11 -40.99 26.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.602 0.761 . . . . 0.0 112.814 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.67 -47.76 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.375 1.07 . . . . 0.0 112.678 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.87 31.25 1.09 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.011 2.125 . . . . 0.0 112.868 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.91 68.06 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.773 -1.204 . . . . 0.0 113.455 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.1 -5.52 59.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.699 1.199 . . . . 0.0 113.792 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.92 79.44 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 120.858 -1.152 . . . . 0.0 115.218 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.14 -18.17 59.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.215 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.14 11.41 79.2 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.629 1.585 . . . . 0.0 115.656 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.9 p -133.57 160.31 37.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.197 1.399 . . . . 0.0 113.306 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.2 mt -138.64 133.63 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 126.695 1.998 . . . . 0.0 108.077 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.09 157.31 19.43 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.628 0.649 . . . . 0.0 111.317 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -46.84 -54.31 20.64 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.67 -21.11 29.72 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.808 1.672 . . . . 0.0 113.453 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -74.8 -38.19 62.17 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.443 -0.785 . . . . 0.0 111.534 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -59.22 -41.14 87.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.434 -0.791 . . . . 0.0 111.684 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.81 -18.69 64.37 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -39.47 90.25 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.315 0.961 . . . . 0.0 112.582 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.19 -31.87 24.87 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.62 -0.675 . . . . 0.0 112.151 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.4 mmm -64.5 -37.43 87.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.961 0.504 . . . . 0.0 111.17 177.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.07 72.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.845 0.748 . . . . 0.0 113.006 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -74.35 -49.64 21.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.548 1.139 . . . . 0.0 111.661 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -58.56 -38.18 77.3 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.889 1.276 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mmm -72.84 -11.75 60.72 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.465 1.506 . . . . 0.0 114.415 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -85.57 17.4 3.27 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -78.78 2.69 18.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.997 1.319 . . . . 0.0 113.373 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -126.87 174.99 8.38 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.701 2.0 . . . . 0.0 111.611 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.13 149.81 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.846 2.059 . . . . 0.0 115.11 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t -151.17 125.5 9.41 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.773 2.029 . . . . 0.0 108.627 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.65 -51.5 69.68 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -72.3 -27.3 62.37 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.41 -0.806 . . . . 0.0 112.763 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.77 -48.65 71.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.278 0.631 . . . . 0.0 110.794 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.83 -47.22 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.149 1.38 . . . . 0.0 110.093 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.254 0.622 . . . . 0.0 112.67 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -71.2 -39.39 71.8 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.687 0.676 . . . . 0.0 112.261 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.62 76.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.957 0.903 . . . . 0.0 112.419 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.65 -43.45 76.21 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 120.938 -1.101 . . . . 0.0 112.548 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -59.51 -26.63 65.47 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.724 0.81 . . . . 0.0 113.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.5 t -64.81 -25.79 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 126.067 1.747 . . . . 0.0 113.232 170.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.413 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.6 m-85 -97.22 -18.82 19.01 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.932 1.293 . . . . 0.0 113.864 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.46 116.32 3.88 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.398 1.079 . . . . 0.0 110.72 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.9 -22.47 59.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.799 1.239 . . . . 0.0 113.676 -171.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -124.03 -14.62 7.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.244 1.418 . . . . 0.0 114.065 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.15 19.71 79.59 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.607 1.099 . . . . 0.0 112.975 -169.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.97 9.3 39.92 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.501 1.521 . . . . 0.0 113.815 -170.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.19 65.52 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.839 -1.163 . . . . 0.0 114.113 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.26 165.55 30.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.003 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 mt -130.48 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.645 1.578 . . . . 0.0 108.831 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 m -65.35 142.01 58.37 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.578 -1.326 . . . . 0.0 111.113 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.64 89.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.02 -1.05 . . . . 0.0 112.405 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.91 73.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.509 0.723 . . . . 0.0 112.938 173.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -71.72 -46.9 57.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.817 0.847 . . . . 0.0 111.645 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.43 -41.34 84.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.959 0.8 . . . . 0.0 111.11 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -59.96 -40.72 90.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.895 0.878 . . . . 0.0 111.942 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -58.41 -62.6 1.72 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.122 0.569 . . . . 0.0 110.581 171.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.413 HG21 ' CE2' ' A' ' 92' ' ' PHE . 13.9 p -64.85 -35.21 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 0.0 112.69 -171.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.57 -15.62 63.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.4 p -120.29 4.15 10.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -109.45 -38.31 5.5 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 126.078 1.751 . . . . 0.0 112.675 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.9 mt -126.3 145.53 50.38 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.841 1.256 . . . . 0.0 110.893 -169.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.98 -148.55 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 114.4 0.52 . . . . 0.0 114.4 -173.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.34 -9.26 58.27 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -172.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 61.5 134.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 129.229 3.012 . . . . 0.0 113.484 -172.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.17 146.73 27.69 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.892 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.74 161.6 23.2 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.053 0.941 . . . . 0.0 110.588 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -49.47 -47.52 48.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.497 1.519 . . . . 0.0 114.187 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.87 -24.83 35.52 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.656 0.782 . . . . 0.0 112.923 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.28 -41.69 73.07 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.242 1.417 . . . . 0.0 111.949 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.84 -33.22 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.399 0.68 . . . . 0.0 111.629 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -71.5 -26.73 62.8 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.291 -0.881 . . . . 0.0 112.093 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -66.96 -33.32 75.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.223 1.009 . . . . 0.0 111.663 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.1 ttm -66.7 -53.18 36.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.298 0.639 . . . . 0.0 110.579 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.09 -35.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 119.15 0.886 . . . . 0.0 112.03 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -58.29 -31.44 67.49 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -112.06 -24.42 9.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.834 1.254 . . . . 0.0 113.446 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.89 -37.71 73.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.373 1.869 . . . . 0.0 111.946 171.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -90.39 124.77 35.21 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.941 -1.099 . . . . 0.0 110.81 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -76.35 -30.86 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.904 1.282 . . . . 0.0 112.024 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -112.23 -23.84 10.17 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.151 1.381 . . . . 0.0 114.38 -171.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.76 12.6 74.4 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.149 1.357 . . . . 0.0 114.444 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -85.33 16.87 3.39 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.851 1.66 . . . . 0.0 114.039 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.77 65.93 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.572 1.558 . . . . 0.0 113.763 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -128.25 92.3 3.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.998 1.719 . . . . 0.0 109.855 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.6 t -66.07 127.07 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.614 -0.679 . . . . 0.0 109.883 172.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.67 97.14 9.12 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.979 0.895 . . . . 0.0 110.239 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -66.95 -29.37 69.22 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.241 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.06 -42.87 91.34 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.582 1.537 . . . . 0.0 112.778 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -75.23 -40.07 59.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.434 0.694 . . . . 0.0 112.372 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -61.93 -39.95 93.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.8 t -50.65 -59.54 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.721 1.208 . . . . 0.0 109.283 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -71.1 -29.17 64.95 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.955 -166.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.6 ttp -65.97 -48.85 69.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.025 1.33 . . . . 0.0 111.832 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.4 ttp -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.073 1.349 . . . . 0.0 112.491 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p -92.95 -1.46 56.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 174.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.51 142.93 58.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.72 1.145 . . . . 0.0 112.784 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.5 tptp . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.121 0.968 . . . . 0.0 111.985 173.404 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -69.24 158.1 58.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.972 3.115 . . . . 0.0 112.489 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -64.32 -21.54 66.49 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.121 0.867 . . . . 0.0 114.992 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 37.0 t -158.19 159.49 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.303 1.841 . . . . 0.0 110.671 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 28.1 tptp -52.48 -47.71 66.36 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 169.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -67.18 -33.27 75.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.356 1.062 . . . . 0.0 113.567 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.58 -33.74 70.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.779 0.832 . . . . 0.0 112.031 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -90.32 -41.53 11.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 0.0 113.619 172.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -56.99 -45.94 82.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.853 1.261 . . . . 0.0 112.667 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -71.23 -17.48 62.5 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.4 m -105.46 -30.62 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.787 1.235 . . . . 0.0 112.272 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.3 m -56.98 -40.1 75.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.713 1.205 . . . . 0.0 111.219 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.0 78.71 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.586 0.755 . . . . 0.0 110.675 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.48 -42.37 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.26 -0.9 . . . . 0.0 111.457 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.32 -42.79 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.077 0.951 . . . . 0.0 111.163 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.89 -37.67 73.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.144 0.978 . . . . 0.0 110.48 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.01 -43.72 95.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.558 1.072 . . . . 0.0 112.306 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -59.59 -49.12 78.98 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.69 0.796 . . . . 0.0 111.042 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.018 0.927 . . . . 0.0 113.229 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.18 -49.26 72.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.191 -0.318 . . . . 0.0 111.792 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.77 -29.66 70.2 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.399 -0.813 . . . . 0.0 112.459 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -58.96 -44.74 91.51 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.774 1.17 . . . . 0.0 110.838 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -66.49 -41.86 88.29 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.202 0.601 . . . . 0.0 112.53 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.35 -38.3 73.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.402 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 54.5 tp -68.66 -47.95 65.21 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.228 1.011 . . . . 0.0 111.465 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -59.4 -31.82 69.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.131 1.372 . . . . 0.0 113.925 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -81.51 -0.64 42.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -129.0 -40.8 1.48 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 64.3 t -87.51 155.24 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.577 1.551 . . . . 0.0 109.867 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 115.71 1.54 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.253 1.421 . . . . 0.0 110.859 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? . . . . . 0 C--O 1.25 1.1 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.363 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -72.22 -11.05 60.55 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -65.13 133.33 51.35 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.186 0.994 . . . . 0.0 111.57 169.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.62 121.72 42.54 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.207 0.603 . . . . 0.0 109.488 167.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -108.68 174.29 5.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.977 1.711 . . . . 0.0 108.074 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -54.81 -28.44 49.34 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.459 -1.401 . . . . 0.0 114.054 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.4 -49.13 70.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.148 0.979 . . . . 0.0 112.553 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -64.6 -43.97 92.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.97 -42.94 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.816 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.16 90.04 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.229 0.922 . . . . 0.0 112.625 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.19 -46.03 82.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.213 -0.93 . . . . 0.0 111.893 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.0 -34.62 78.52 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.314 0.646 . . . . 0.0 112.498 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -56.7 -51.78 67.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.449 1.5 . . . . 0.0 111.161 175.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.09 -45.49 88.45 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.821 0.848 . . . . 0.0 112.04 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.72 74.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -74.82 -49.95 18.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.538 1.063 . . . . 0.0 112.422 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -62.9 -17.47 61.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.76 0.824 . . . . 0.0 113.047 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.64 -20.73 35.38 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.597 1.559 . . . . 0.0 114.257 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.22 11.34 4.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.249 1.42 . . . . 0.0 113.166 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -65.53 123.58 20.03 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.487 -0.758 . . . . 0.0 111.309 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -72.23 -25.87 61.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.166 1.386 . . . . 0.0 114.501 -169.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -124.31 -18.06 5.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.538 1.135 . . . . 0.0 113.956 -171.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.52 5.02 90.25 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 124.658 1.123 . . . . 0.0 112.847 -168.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -101.67 8.77 41.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.73 2.012 . . . . 0.0 113.677 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.14 34.83 7.36 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.672 -1.071 . . . . 0.0 115.122 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -137.76 152.58 49.33 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.3 1.55 . . . . 0.0 113.455 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 pt -125.83 169.21 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 126.514 1.926 . . . . 0.0 110.279 172.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -83.94 159.37 21.29 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.138 0.971 . . . . 0.0 112.23 169.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.1 p -60.65 -26.83 67.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.091 0.956 . . . . 0.0 112.361 169.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -71.46 -42.33 68.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 0.0 112.618 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -75.77 -14.53 60.32 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.36 -58.97 3.24 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.505 1.122 . . . . 0.0 111.804 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.69 -28.53 73.71 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.984 -0.448 . . . . 0.0 113.457 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -65.42 -38.41 89.85 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.126 0.963 . . . . 0.0 111.092 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.317 1.5 m -75.1 -35.07 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.314 172.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.0 mtp -58.91 -38.27 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.764 1.62 . . . . 0.0 112.163 170.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.9 -30.48 70.91 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.138 0.975 . . . . 0.0 112.822 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.9 t -67.07 -33.67 76.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.827 0.851 . . . . 0.0 112.502 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.28 5.5 8.43 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.086 0.954 . . . . 0.0 113.108 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 37.91 52.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 120.783 -1.198 . . . . 0.0 113.921 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -143.49 133.08 23.61 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.239 1.02 . . . . 0.0 111.127 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -114.95 87.85 15.92 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.624 1.17 . . . . 0.0 111.407 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -69.49 154.73 68.42 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.607 2.871 . . . . 0.0 112.513 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -82.82 166.45 18.98 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.634 -0.666 . . . . 0.0 112.542 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -62.41 -42.52 99.5 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.558 -1.339 . . . . 0.0 113.215 -175.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.71 -34.83 77.66 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.66 -0.65 . . . . 0.0 112.486 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -68.19 -42.42 79.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.01 -48.25 82.7 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.532 0.733 . . . . 0.0 111.339 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.49 -34.77 77.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.9 -37.85 89.01 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.052 0.842 . . . . 0.0 112.474 175.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -71.1 -41.36 70.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.352 -0.843 . . . . 0.0 111.699 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.09 -27.24 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.856 0.862 . . . . 0.0 111.888 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -57.99 -34.86 70.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.085 1.312 . . . . 0.0 112.336 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -87.53 -40.44 14.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.952 0.901 . . . . 0.0 112.35 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -73.81 -38.16 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.128 1.371 . . . . 0.0 113.264 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -123.63 51.85 1.47 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.148 1.779 . . . . 0.0 112.423 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.8 63.17 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.251 -0.905 . . . . 0.0 113.34 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.05 -19.92 58.2 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.004 1.322 . . . . 0.0 113.835 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.71 30.11 70.84 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.376 0.989 . . . . 0.0 114.021 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -18.79 58.23 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.439 1.496 . . . . 0.0 113.202 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.13 79.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.946 1.736 . . . . 0.0 115.88 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.9 p -134.87 159.14 42.35 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.159 1.479 . . . . 0.0 114.029 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.0 mt -138.8 135.79 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.466 2.306 . . . . 0.0 108.461 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.36 157.4 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.929 0.786 . . . . 0.0 111.512 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -46.3 -56.21 11.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.523 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -68.93 -21.38 37.55 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.115 1.877 . . . . 0.0 113.587 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -74.05 -39.22 63.65 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.474 -0.766 . . . . 0.0 111.373 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.34 -39.18 89.61 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.396 -0.815 . . . . 0.0 112.233 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.22 -22.82 63.48 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -37.84 88.06 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.836 0.744 . . . . 0.0 112.629 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.91 -36.08 23.6 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.9 -0.5 . . . . 0.0 111.367 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.8 mmm -62.41 -28.0 69.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.252 0.933 . . . . 0.0 113.053 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.45 85.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.587 0.755 . . . . 0.0 112.408 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -80.98 -36.13 31.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.897 1.679 . . . . 0.0 113.566 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -86.14 -2.62 58.52 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.453 1.901 . . . . 0.0 114.44 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 mtm -60.41 141.43 56.34 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.364 0.984 . . . . 0.0 112.772 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -79.87 66.89 5.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.246 1.818 . . . . 0.0 112.42 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.09 -22.9 61.28 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.4 m -89.45 144.46 26.03 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.987 0.915 . . . . 0.0 110.394 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.82 151.21 8.8 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.631 1.172 . . . . 0.0 112.896 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.2 t -62.11 137.4 58.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.578 0.751 . . . . 0.0 112.813 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.88 -45.29 90.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.666 1.187 . . . . 0.0 112.164 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.76 -35.01 79.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.379 0.672 . . . . 0.0 112.049 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.36 -46.44 76.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.529 0.731 . . . . 0.0 111.451 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.6 mt -60.21 -46.27 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.96 0.904 . . . . 0.0 110.172 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -64.78 -38.19 90.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.953 0.901 . . . . 0.0 112.515 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.8 -43.84 71.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.236 1.015 . . . . 0.0 112.568 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.48 67.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.742 1.217 . . . . 0.0 113.241 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -76.78 -37.69 55.38 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.125 -0.984 . . . . 0.0 111.424 168.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.98 72.88 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.081 -1.012 . . . . 0.0 112.956 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.85 -11.4 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -105.57 -12.81 15.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.81 1.644 . . . . 0.0 113.778 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -56.69 127.24 30.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.718 1.207 . . . . 0.0 110.5 -175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -39.82 85.88 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.748 1.619 . . . . 0.0 113.862 -167.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -154.9 6.69 0.26 Allowed 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.78 5.99 54.77 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.256 1.407 . . . . 0.0 115.132 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -75.6 -2.51 29.61 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.036 1.418 . . . . 0.0 114.796 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.16 28.56 40.47 Favored Glycine 0 N--CA 1.473 1.151 0 CA-C-N 119.607 1.094 . . . . 0.0 113.173 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.92 164.71 32.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -128.69 135.93 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.389 1.476 . . . . 0.0 108.877 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -68.18 147.04 52.82 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 120.583 -1.323 . . . . 0.0 112.112 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.92 -41.54 87.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.433 -0.792 . . . . 0.0 112.691 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.67 70.72 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.16 -48.22 45.06 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.96 0.904 . . . . 0.0 111.543 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.35 -35.73 76.19 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.662 0.664 . . . . 0.0 111.434 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -59.98 -42.75 94.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.614 1.097 . . . . 0.0 111.15 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.04 -59.51 5.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.882 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 m -58.37 -39.84 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 120.63 1.559 . . . . 0.0 111.984 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.25 -15.09 59.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -110.99 1.78 17.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -108.89 -27.62 9.61 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 176.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 mt -134.6 140.61 46.21 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.725 1.21 . . . . 0.0 110.696 -169.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.02 -146.0 26.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 114.83 0.692 . . . . 0.0 114.83 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.98 -17.59 63.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 60.55 119.6 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.792 2.837 . . . . 0.0 112.705 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.0 mt -78.14 147.8 34.41 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.433 -0.792 . . . . 0.0 110.953 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -68.2 161.09 27.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.472 1.109 . . . . 0.0 110.552 172.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -54.46 -43.89 72.09 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.21 -23.04 35.63 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.186 -0.946 . . . . 0.0 112.774 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -75.17 -40.84 59.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.367 1.467 . . . . 0.0 112.1 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.14 -33.82 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.27 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -69.91 -35.06 74.28 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.387 -0.821 . . . . 0.0 112.294 171.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.92 -33.6 73.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.919 0.782 . . . . 0.0 111.348 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -64.8 -55.4 19.87 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.594 172.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -56.91 -37.67 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.621 1.101 . . . . 0.0 111.487 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -55.73 -33.66 64.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.57 1.148 . . . . 0.0 114.046 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -110.39 -19.03 13.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.062 1.345 . . . . 0.0 114.431 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.11 -34.01 29.47 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.318 1.847 . . . . 0.0 113.012 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.46 120.32 13.73 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.634 1.173 . . . . 0.0 111.52 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.6 tp -79.93 -28.53 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 123.96 0.904 . . . . 0.0 113.297 -172.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -114.76 -20.22 10.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 114.349 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.47 5.65 88.35 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.476 1.036 . . . . 0.0 113.315 -168.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -100.0 9.47 42.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.472 1.909 . . . . 0.0 113.914 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.1 24.64 12.41 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.096 1.332 . . . . 0.0 115.101 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -125.41 103.18 7.77 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.0 1.4 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.46 123.33 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 110.427 171.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.66 99.97 12.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.136 0.969 . . . . 0.0 109.433 168.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.96 -24.82 63.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.911 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.47 -31.79 69.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.945 1.248 . . . . 0.0 112.174 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.78 -42.01 58.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.591 -0.693 . . . . 0.0 110.532 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.56 -40.33 92.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.294 1.038 . . . . 0.0 113.685 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.25 -43.27 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.179 -0.951 . . . . 0.0 111.599 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.986 0.914 . . . . 0.0 112.079 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.4 ttp -69.4 -48.49 60.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.675 0.79 . . . . 0.0 112.698 173.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.48 -38.9 92.9 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.436 -0.79 . . . . 0.0 112.3 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p -82.09 -1.93 50.26 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.22 160.28 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.296 0.953 . . . . 0.0 112.403 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp . . . . . 0 C--O 1.252 1.185 0 C-N-CA 125.093 1.357 . . . . 0.0 111.421 176.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 CA-C-O 119.78 -0.456 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -66.99 138.25 47.3 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.804 3.002 . . . . 0.0 112.082 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.41 96.02 Favored Glycine 0 CA--C 1.536 1.375 0 N-CA-C 115.036 0.775 . . . . 0.0 115.036 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 7.5 t -84.35 -165.49 1.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.065 1.346 . . . . 0.0 113.612 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -61.14 -8.65 3.68 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.545 2.738 . . . . 0.0 116.15 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -53.9 -30.46 46.25 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.818 1.647 . . . . 0.0 113.413 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 40.0 mttp -52.88 -49.64 65.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.921 1.689 . . . . 0.0 112.4 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -84.42 -38.43 20.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.75 1.22 . . . . 0.0 111.797 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.7 -45.66 74.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 112.247 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -67.39 -26.17 66.32 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.4 m -98.56 -32.58 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.694 1.198 . . . . 0.0 111.823 -175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -57.51 -40.1 77.96 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.167 1.387 . . . . 0.0 111.395 170.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.76 70.07 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.904 -0.497 . . . . 0.0 111.303 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.57 -39.14 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.007 -1.058 . . . . 0.0 111.74 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.97 -40.07 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.867 0.867 . . . . 0.0 110.959 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.6 mt -75.75 -40.89 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.434 1.094 . . . . 0.0 111.386 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.51 -48.77 76.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.621 1.168 . . . . 0.0 111.517 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -67.38 -42.65 83.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.595 1.158 . . . . 0.0 111.486 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.89 95.97 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.408 0.683 . . . . 0.0 112.441 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -66.17 -52.73 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.269 0.627 . . . . 0.0 112.219 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.885 0.874 . . . . 0.0 112.404 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -69.17 -46.5 67.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.941 0.791 . . . . 0.0 111.242 169.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.8 -32.87 73.19 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.88 -30.1 44.48 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.153 -0.967 . . . . 0.0 112.712 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.55 -48.09 50.89 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.607 0.763 . . . . 0.0 110.995 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.81 -25.84 61.16 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.094 1.758 . . . . 0.0 113.712 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.77 -29.28 64.71 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -121.45 -38.55 2.76 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.126 1.37 . . . . 0.0 113.934 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 62.4 t -140.13 126.78 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.861 1.665 . . . . 0.0 109.872 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -145.91 148.41 32.79 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.94 1.296 . . . . 0.0 111.119 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 C--O 1.247 0.957 0 C-N-CA 126.533 1.933 . . . . 0.0 110.79 -179.736 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.692 0.282 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -72.61 -11.59 60.71 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -49.15 140.68 9.17 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.352 1.861 . . . . 0.0 113.293 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.11 144.67 27.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 173.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -70.42 161.19 30.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.91 0.884 . . . . 0.0 111.279 171.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.35 -30.22 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.911 -1.118 . . . . 0.0 112.619 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.16 -44.77 64.85 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.125 0.97 . . . . 0.0 111.967 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -62.04 -44.22 97.16 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.457 0.703 . . . . 0.0 111.062 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.08 -45.3 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.011 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.96 78.31 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.881 1.219 . . . . 0.0 112.969 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.4 -44.88 89.87 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.965 -1.084 . . . . 0.0 111.653 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.0 -35.48 80.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.722 0.809 . . . . 0.0 112.403 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -57.16 -51.17 70.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.646 1.578 . . . . 0.0 110.714 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -63.42 -50.8 68.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.257 0.623 . . . . 0.0 111.849 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.3 75.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -72.82 -49.3 31.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.232 1.013 . . . . 0.0 111.551 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.3 t -59.89 -26.98 66.32 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.6 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.27 -21.08 21.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.227 1.411 . . . . 0.0 114.17 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -121.2 5.21 10.29 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.935 1.694 . . . . 0.0 113.136 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -75.15 77.5 2.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.451 1.5 . . . . 0.0 110.739 174.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -62.06 -24.14 66.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.241 1.416 . . . . 0.0 114.791 -172.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -92.46 -13.8 29.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.836 1.254 . . . . 0.0 113.863 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.01 34.21 89.27 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.834 0.731 . . . . 0.0 112.973 -170.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -117.35 6.9 12.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.901 1.68 . . . . 0.0 114.147 -169.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 23.22 60.21 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.889 1.233 . . . . 0.0 114.538 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -142.31 160.93 39.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.846 1.258 . . . . 0.0 113.024 -174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -135.15 171.76 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.617 1.967 . . . . 0.0 110.605 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -83.35 160.88 21.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 122.272 1.034 . . . . 0.0 112.773 169.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.7 p -62.83 -21.29 65.82 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.419 1.088 . . . . 0.0 113.538 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -83.84 -38.53 21.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.291 0.95 . . . . 0.0 112.91 171.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.42 -20.13 65.48 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.53 5.84 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.795 1.238 . . . . 0.0 111.786 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.03 -27.68 73.05 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.375 -0.828 . . . . 0.0 113.134 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -69.52 -39.84 77.28 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.233 1.013 . . . . 0.0 111.771 172.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.85 -41.9 94.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.076 0.95 . . . . 0.0 110.866 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.8 mtp -62.29 -42.72 99.59 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.276 -0.89 . . . . 0.0 112.022 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -62.89 -33.79 76.05 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.233 1.013 . . . . 0.0 112.565 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -63.72 -28.44 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.937 0.895 . . . . 0.0 112.754 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.34 8.84 22.63 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.039 1.735 . . . . 0.0 113.545 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.22 2.5 89.15 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.372 1.463 . . . . 0.0 115.48 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -99.66 118.11 35.48 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.048 1.339 . . . . 0.0 110.16 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -104.29 90.27 3.08 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.669 0.788 . . . . 0.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.07 160.19 48.11 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.049 3.166 . . . . 0.0 112.931 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -79.5 151.64 30.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.99 -40.23 97.12 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.14 -1.6 . . . . 0.0 112.947 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.25 72.23 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.805 0.842 . . . . 0.0 112.903 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -68.75 -42.63 77.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.542 1.137 . . . . 0.0 111.482 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.38 -49.71 76.26 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.664 0.786 . . . . 0.0 110.721 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.35 -39.93 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.775 0.83 . . . . 0.0 112.361 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.73 -42.47 95.18 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.971 0.909 . . . . 0.0 112.634 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.2 mtm -68.14 -40.77 82.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.4 -0.812 . . . . 0.0 112.101 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.25 -29.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.237 1.015 . . . . 0.0 111.985 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.9 -26.84 67.73 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.042 1.292 . . . . 0.0 113.251 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -90.95 -47.11 7.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.894 0.878 . . . . 0.0 112.321 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.79 -35.5 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.852 1.261 . . . . 0.0 113.144 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -115.85 46.83 1.46 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.251 1.82 . . . . 0.0 111.948 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -26.46 63.38 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -85.42 -5.12 59.32 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 114.326 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.91 39.4 59.27 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.423 1.011 . . . . 0.0 115.3 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.42 -21.85 55.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.992 1.317 . . . . 0.0 113.332 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.46 17.44 76.26 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.832 1.682 . . . . 0.0 113.818 -169.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -139.36 162.13 35.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.564 1.545 . . . . 0.0 113.092 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mt -140.57 136.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.78 2.032 . . . . 0.0 109.186 -173.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.98 155.62 18.98 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.474 0.709 . . . . 0.0 111.486 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.46 -51.62 19.8 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.66 -27.91 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.989 1.792 . . . . 0.0 113.804 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.07 -25.39 58.57 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.2 -0.938 . . . . 0.0 112.147 174.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -72.35 -47.03 52.75 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.441 -0.787 . . . . 0.0 110.794 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.93 -31.56 71.89 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.409 -0.807 . . . . 0.0 112.327 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -50.88 -42.94 59.42 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.44 1.496 . . . . 0.0 112.762 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.6 ptp -84.37 -34.17 23.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.234 0.925 . . . . 0.0 113.025 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.8 mmm -63.05 -31.62 72.8 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.84 -0.537 . . . . 0.0 111.897 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.43 -44.96 72.88 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.79 0.836 . . . . 0.0 112.375 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -71.02 -47.48 58.46 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.795 1.238 . . . . 0.0 112.049 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.14 -21.26 64.9 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.256 1.422 . . . . 0.0 113.016 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 mmm -88.64 -53.57 4.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.855 1.262 . . . . 0.0 112.99 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.79 2.25 41.02 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 -168.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -139.59 25.19 2.41 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 p -76.57 -21.44 55.62 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.51 -1.368 . . . . 0.0 114.107 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.46 57.26 0.7 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.044 2.137 . . . . 0.0 112.852 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.1 t -78.41 155.93 29.71 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.436 1.894 . . . . 0.0 112.669 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -56.53 -50.45 71.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.061 1.344 . . . . 0.0 113.532 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -70.39 -29.29 65.89 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.038 -1.039 . . . . 0.0 112.43 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.46 -46.84 81.35 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.402 -0.811 . . . . 0.0 111.064 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -47.27 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.741 1.216 . . . . 0.0 110.235 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.54 -41.97 99.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.763 0.825 . . . . 0.0 112.486 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.69 -44.73 77.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.824 0.85 . . . . 0.0 112.225 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.16 66.88 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 113.528 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.67 -42.74 33.56 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.092 -1.005 . . . . 0.0 111.426 168.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -62.77 -24.35 67.68 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.9 m -70.24 -19.82 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -95.26 -22.96 17.46 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 112.978 172.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.65 111.56 1.47 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.959 1.304 . . . . 0.0 110.945 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.46 0.83 53.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -173.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -125.94 -15.76 5.8 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.089 1.356 . . . . 0.0 114.264 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.1 8.23 84.98 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.23 1.395 . . . . 0.0 113.722 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -82.14 -1.07 47.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.25 1.82 . . . . 0.0 115.047 -169.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.11 21.44 55.16 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-N 119.673 1.124 . . . . 0.0 113.627 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.57 163.42 34.84 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.101 1.36 . . . . 0.0 111.039 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -130.03 143.7 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.716 2.006 . . . . 0.0 108.369 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 p -68.26 149.69 49.17 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.122 -1.611 . . . . 0.0 111.576 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.945 -1.097 . . . . 0.0 111.952 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.21 90.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.747 0.819 . . . . 0.0 112.286 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.66 -43.55 75.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.89 0.876 . . . . 0.0 112.245 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.65 -41.01 72.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.063 0.847 . . . . 0.0 111.275 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -59.77 -40.9 89.75 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.454 1.024 . . . . 0.0 111.648 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.97 -63.17 1.3 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.133 0.573 . . . . 0.0 110.576 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.427 HG21 ' CE2' ' A' ' 92' ' ' PHE . 12.0 p -64.62 -33.63 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.641 1.11 . . . . 0.0 112.944 -172.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.4 mmt -71.2 -11.56 61.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 p -124.39 -2.46 8.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -97.06 -40.32 8.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.833 2.053 . . . . 0.0 111.406 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.4 mt -123.6 159.38 29.36 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.678 1.591 . . . . 0.0 111.692 -169.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 68.16 -149.46 50.11 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.259 -0.882 . . . . 0.0 114.354 -171.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -71.63 -14.58 62.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.867 1.667 . . . . 0.0 113.623 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.82 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.82 2.848 . . . . 0.0 112.994 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.27 156.46 37.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.884 0.873 . . . . 0.0 112.658 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -66.7 157.05 33.67 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.313 0.645 . . . . 0.0 110.234 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.88 -46.77 71.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.696 1.198 . . . . 0.0 113.971 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -74.54 -27.45 60.52 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.233 -0.917 . . . . 0.0 112.546 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -74.41 -39.89 62.36 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.697 1.199 . . . . 0.0 111.705 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.89 -33.4 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.424 0.69 . . . . 0.0 112.009 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.56 -36.24 80.57 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.675 -1.266 . . . . 0.0 112.009 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -33.19 72.22 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.372 -0.83 . . . . 0.0 112.022 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -64.05 -54.22 37.65 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.508 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.46 -40.05 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.966 . . . . 0.0 111.221 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -54.4 -32.94 58.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.786 1.234 . . . . 0.0 113.938 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -109.82 -25.11 10.51 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.53 -35.53 46.09 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.368 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -76.85 62.57 2.08 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.964 1.705 . . . . 0.0 111.155 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.9 tp -61.25 -26.28 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.802 1.241 . . . . 0.0 112.923 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.35 -14.47 58.96 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.438 1.095 . . . . 0.0 113.528 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.05 32.89 83.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.907 1.242 . . . . 0.0 114.354 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -136.99 24.13 3.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.061 1.344 . . . . 0.0 113.552 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.93 77.82 Favored Glycine 0 CA--C 1.534 1.244 0 O-C-N 120.629 -1.295 . . . . 0.0 113.994 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -125.01 87.6 2.74 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.758 1.623 . . . . 0.0 108.792 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -63.1 122.0 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 110.191 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -94.1 97.39 10.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.939 0.876 . . . . 0.0 111.023 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.93 -26.79 65.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.933 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.8 -34.91 79.47 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.877 1.217 . . . . 0.0 112.066 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -75.45 -43.25 50.54 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.121 -0.987 . . . . 0.0 111.267 169.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.05 -45.17 93.5 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.403 1.081 . . . . 0.0 113.072 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.65 -38.91 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.751 1.159 . . . . 0.0 111.875 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -68.1 -43.06 79.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.569 0.748 . . . . 0.0 112.053 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.8 ttp -64.8 -47.46 78.0 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.533 0.733 . . . . 0.0 112.066 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.28 -25.96 67.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.003 1.721 . . . . 0.0 112.679 -173.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 78.4 p -100.86 -0.87 36.11 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.215 1.406 . . . . 0.0 114.489 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.27 156.82 33.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.602 1.092 . . . . 0.0 113.574 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.638 1.975 . . . . 0.0 113.375 176.335 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 CA-C-O 119.815 -0.436 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.65 5.49 5.55 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.17 3.247 . . . . 0.0 115.263 -172.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.69 31.88 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 119.883 1.22 . . . . 0.0 115.938 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 16.7 m -72.66 -1.12 15.06 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.3 1.44 . . . . 0.0 114.839 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 50.8 tttt -143.01 -36.08 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.056 1.742 . . . . 0.0 113.504 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -51.78 -36.77 48.79 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.325 1.85 . . . . 0.0 114.204 -169.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.89 -38.84 83.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.225 1.41 . . . . 0.0 113.108 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -83.43 -40.53 19.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.74 0.816 . . . . 0.0 112.161 173.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.27 -45.08 72.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.425 1.09 . . . . 0.0 111.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.94 -25.61 66.43 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.9 m -103.44 -28.63 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.656 1.182 . . . . 0.0 112.342 -173.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.4 m -58.52 -38.83 78.56 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.372 1.069 . . . . 0.0 110.635 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.39 -41.92 77.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.508 0.723 . . . . 0.0 110.407 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.3 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.082 -1.011 . . . . 0.0 112.353 -176.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.2 mt -59.65 -42.64 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.143 0.977 . . . . 0.0 110.94 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.11 -39.69 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.409 1.084 . . . . 0.0 110.982 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.2 -45.62 92.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.692 1.133 . . . . 0.0 111.447 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -58.18 -54.21 49.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.697 1.199 . . . . 0.0 110.739 174.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.97 85.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.4 t80 -63.71 -54.5 34.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.409 0.684 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.57 -26.94 66.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.958 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -63.29 -47.83 80.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.854 1.661 . . . . 0.0 110.862 168.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.47 -37.48 86.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.594 0.758 . . . . 0.0 112.053 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.18 -34.33 78.14 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.116 -0.99 . . . . 0.0 113.005 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.98 -32.07 71.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.887 0.767 . . . . 0.0 112.093 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -65.64 -42.51 91.35 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.238 0.926 . . . . 0.0 111.747 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -70.76 -12.41 61.54 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.852 1.661 . . . . 0.0 113.932 171.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 46.3 mttp 58.89 27.19 15.86 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.705 2.402 . . . . 0.0 114.167 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.1 m -87.53 130.99 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.398 1.079 . . . . 0.0 111.401 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -146.73 149.54 33.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.462 1.505 . . . . 0.0 111.698 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 29.4 mmmt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.332 1.453 . . . . 0.0 111.993 170.135 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.67 0.271 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -80.33 -21.26 42.7 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.721 1.208 . . . . 0.0 113.553 175.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -77.1 141.99 39.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.17 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.05 141.52 34.76 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.708 1.203 . . . . 0.0 110.749 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 m -85.62 157.46 20.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.101 0.96 . . . . 0.0 109.4 169.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -52.7 -30.74 33.88 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -65.89 -36.34 83.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.414 1.085 . . . . 0.0 112.994 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -74.43 -45.58 45.56 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.317 0.647 . . . . 0.0 111.042 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.33 -44.93 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.021 0.929 . . . . 0.0 111.057 -176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.98 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.5 -44.58 67.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 111.482 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -63.95 -34.04 77.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.34 0.656 . . . . 0.0 112.395 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -54.34 -49.79 68.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.8 1.64 . . . . 0.0 111.746 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.81 -50.46 62.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.619 0.767 . . . . 0.0 111.708 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.0 72.83 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -75.25 -48.71 22.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.127 0.876 . . . . 0.0 112.139 175.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.89 -25.28 64.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.09 0.956 . . . . 0.0 112.656 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.85 -21.02 6.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.894 1.678 . . . . 0.0 114.619 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.72 11.64 4.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.55 1.54 . . . . 0.0 112.938 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.01 126.59 29.64 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.409 -0.807 . . . . 0.0 110.932 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -69.36 -22.63 63.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.605 1.562 . . . . 0.0 115.155 -169.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -142.33 -10.47 0.84 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.28 7.76 84.52 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.677 1.132 . . . . 0.0 112.874 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -88.77 1.87 54.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.134 1.774 . . . . 0.0 114.063 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.43 29.77 13.5 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.199 -0.938 . . . . 0.0 114.445 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -139.1 149.45 44.56 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.912 1.356 . . . . 0.0 113.294 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -118.94 169.71 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.304 1.842 . . . . 0.0 110.147 171.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -83.95 158.61 21.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.191 0.996 . . . . 0.0 112.175 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -62.67 -22.02 66.16 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.283 1.033 . . . . 0.0 112.815 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.94 -42.54 48.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 112.966 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.01 -15.68 60.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.59 -60.45 2.18 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.732 1.213 . . . . 0.0 112.129 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.63 -26.34 69.71 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 122.038 -0.414 . . . . 0.0 113.402 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -69.0 -40.29 78.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.09 0.956 . . . . 0.0 111.204 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.295 1.8 m -72.45 -31.29 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.375 -0.828 . . . . 0.0 112.2 173.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.01 -43.08 99.75 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.096 -1.002 . . . . 0.0 111.331 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -64.41 -34.36 77.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.269 1.028 . . . . 0.0 112.365 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 t -61.74 -36.1 80.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.766 0.826 . . . . 0.0 112.176 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.41 7.97 8.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.795 1.638 . . . . 0.0 114.158 170.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.31 4.72 89.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.141 1.353 . . . . 0.0 115.786 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -102.47 124.56 48.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.033 1.416 . . . . 0.0 110.472 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -109.87 87.03 5.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 123.938 0.895 . . . . 0.0 111.017 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.73 152.77 64.53 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.21 3.273 . . . . 0.0 112.907 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -73.08 151.64 41.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.449 1.1 . . . . 0.0 110.373 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -59.69 -35.13 73.86 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.503 -1.373 . . . . 0.0 112.817 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.51 94.39 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.048 0.939 . . . . 0.0 112.44 173.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.18 -44.28 95.86 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.659 -0.651 . . . . 0.0 111.112 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.42 -48.3 82.17 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.37 0.532 . . . . 0.0 111.385 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -62.27 -39.37 92.7 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.464 1.029 . . . . 0.0 112.391 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -65.8 -38.49 89.12 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.454 -0.779 . . . . 0.0 113.084 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -70.53 -41.04 73.06 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.453 -0.78 . . . . 0.0 111.633 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.405 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 54.2 mt -71.91 -22.13 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 121.363 -0.836 . . . . 0.0 112.857 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.95 -29.19 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.044 -1.035 . . . . 0.0 111.35 168.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -89.46 -47.5 7.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.408 1.083 . . . . 0.0 112.706 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.405 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 16.4 m -76.17 -14.99 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -140.04 52.48 1.68 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.197 0.999 . . . . 0.0 112.612 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.01 -23.66 63.85 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 174.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.67 -16.41 57.33 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.898 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.94 70.63 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.548 1.071 . . . . 0.0 114.879 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -76.76 -17.38 59.09 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 118.584 1.192 . . . . 0.0 113.798 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.08 16.7 76.12 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.522 1.534 . . . . 0.0 114.587 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -134.41 159.23 41.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.019 1.327 . . . . 0.0 113.774 -176.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 mt -139.12 137.12 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 127.366 2.266 . . . . 0.0 108.378 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.52 157.29 19.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.956 0.798 . . . . 0.0 111.905 173.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -47.71 -55.67 16.21 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.04 -21.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.975 1.783 . . . . 0.0 113.327 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -41.09 71.49 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.712 0.687 . . . . 0.0 111.168 172.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.63 -40.22 94.09 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.362 -0.837 . . . . 0.0 112.634 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.96 -25.04 66.54 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -37.08 78.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.549 0.74 . . . . 0.0 112.817 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -84.29 -33.7 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.922 -0.486 . . . . 0.0 112.035 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -64.17 -28.77 69.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.1 76.84 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -83.03 -45.35 14.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.457 1.503 . . . . 0.0 113.359 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -79.46 -2.33 41.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.509 1.923 . . . . 0.0 115.047 -175.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mtm -54.37 149.05 10.68 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.466 1.106 . . . . 0.0 112.753 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -75.36 69.13 2.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.606 1.562 . . . . 0.0 111.869 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -140.28 63.52 1.47 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.528 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.4 p -87.28 16.06 5.68 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.505 1.922 . . . . 0.0 114.923 -169.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -72.08 31.61 0.06 Allowed 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.5 t -64.54 136.58 57.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.651 -1.28 . . . . 0.0 111.926 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.39 -41.83 97.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.423 1.089 . . . . 0.0 113.211 -172.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.76 -35.84 77.59 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.609 -0.682 . . . . 0.0 111.851 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -68.14 -42.37 80.23 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.956 0.902 . . . . 0.0 111.691 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.94 -45.37 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.011 0.924 . . . . 0.0 110.327 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -60.58 -44.19 96.48 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.48 1.036 . . . . 0.0 112.425 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -62.92 -42.92 99.95 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.902 0.774 . . . . 0.0 112.569 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.12 68.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.942 1.297 . . . . 0.0 113.632 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.07 -41.95 57.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.918 -1.114 . . . . 0.0 112.23 171.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -57.34 -29.3 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -74.79 -12.32 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CE2' HG22 ' A' ' 108' ' ' VAL . 11.5 m-85 -100.47 -22.77 14.91 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.886 1.275 . . . . 0.0 112.978 169.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -59.63 116.21 3.87 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.428 1.091 . . . . 0.0 110.295 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -70.61 -24.94 62.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.45 1.5 . . . . 0.0 114.092 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -125.16 -13.82 6.67 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 114.256 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.22 20.55 78.98 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.255 0.931 . . . . 0.0 112.419 -168.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.69 -1.53 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.826 1.65 . . . . 0.0 113.966 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.84 21.12 56.64 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 113.928 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.01 166.34 31.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.289 1.436 . . . . 0.0 110.513 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -129.64 138.05 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.504 1.521 . . . . 0.0 109.166 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -65.08 140.3 58.81 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.879 -1.138 . . . . 0.0 110.987 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.98 86.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.295 -0.878 . . . . 0.0 112.605 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -75.04 -43.32 54.2 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.379 -0.826 . . . . 0.0 111.821 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.54 -38.97 84.97 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.03 0.832 . . . . 0.0 110.741 174.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttt-85 -62.24 -37.7 86.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.561 0.744 . . . . 0.0 112.247 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -57.96 -64.76 0.8 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.617 0.644 . . . . 0.0 110.298 170.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.411 HG22 ' CE2' ' A' ' 92' ' ' PHE . 11.3 p -63.22 -39.69 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.733 0.697 . . . . 0.0 112.559 -171.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -66.24 -16.38 63.96 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.6 p -115.57 3.18 13.95 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -116.05 -29.93 6.17 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.171 1.388 . . . . 0.0 113.975 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 mt -131.82 137.78 48.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.823 1.249 . . . . 0.0 110.026 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.62 -146.56 30.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.9 8.57 1.93 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 39.88 103.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 129.908 3.283 . . . . 0.0 114.332 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.74 142.3 58.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.184 -0.947 . . . . 0.0 110.39 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.772 0.829 . . . . 0.0 109.975 173.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.0 -51.98 59.9 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.667 -1.271 . . . . 0.0 114.311 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -71.57 -21.71 61.84 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.985 -1.072 . . . . 0.0 113.179 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -78.43 -41.87 31.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.674 1.19 . . . . 0.0 111.884 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 p -72.57 -34.36 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 123.919 0.888 . . . . 0.0 110.543 173.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.24 -40.65 94.31 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.542 -0.724 . . . . 0.0 111.285 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -57.81 -39.97 78.85 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.863 0.756 . . . . 0.0 111.462 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.2 ttm -58.95 -54.46 46.89 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.934 170.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.4 mm -58.06 -38.41 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 121.349 1.886 . . . . 0.0 111.713 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -57.35 -27.46 62.27 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.43 -17.75 9.99 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.01 -33.83 33.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.189 2.195 . . . . 0.0 112.429 172.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -81.3 137.88 35.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.429 1.091 . . . . 0.0 111.61 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.8 -39.4 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.199 1.4 . . . . 0.0 112.13 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -143.52 -5.64 0.83 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.49 6.86 59.52 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.534 1.54 . . . . 0.0 115.41 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.88 -3.64 23.56 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 119.619 1.709 . . . . 0.0 114.407 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.25 26.04 8.51 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.878 1.704 . . . . 0.0 114.209 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -126.92 99.89 5.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.578 1.551 . . . . 0.0 110.671 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.0 t -74.58 128.38 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.669 -0.645 . . . . 0.0 110.247 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -97.76 99.89 11.25 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.97 0.891 . . . . 0.0 111.007 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -70.06 -25.93 63.77 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.144 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.93 -32.6 72.33 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.904 1.229 . . . . 0.0 112.246 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -75.07 -42.49 56.74 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 110.518 168.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.92 -43.93 94.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.368 1.067 . . . . 0.0 113.65 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.03 -43.69 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.14 0.976 . . . . 0.0 111.711 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -66.32 -39.14 89.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.373 0.669 . . . . 0.0 111.558 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.1 ttp -64.28 -46.28 84.35 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.633 -0.667 . . . . 0.0 112.665 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.2 mtm -65.41 -43.19 91.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.754 0.706 . . . . 0.0 112.01 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.6 p -80.41 -13.9 58.75 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.287 1.218 . . . . 0.0 114.287 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.24 146.49 43.54 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.325 0.966 . . . . 0.0 112.624 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.171 2.189 . . . . 0.0 113.268 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 CA-C-O 119.233 -0.76 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.77 148.31 71.04 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.661 2.907 . . . . 0.0 113.223 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 76.53 136.45 0.69 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.247 1.403 . . . . 0.0 113.92 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.2 p -77.99 -165.73 0.7 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 112.706 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -7.18 2.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.103 1.361 . . . . 0.0 114.605 169.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -52.82 -31.9 41.39 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.2 1.4 . . . . 0.0 113.204 169.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -59.59 -43.68 93.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.808 1.243 . . . . 0.0 112.367 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -80.45 -38.93 29.09 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.961 0.904 . . . . 0.0 112.024 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -52.02 -44.53 64.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.841 1.256 . . . . 0.0 112.611 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.27 -22.2 62.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -104.38 -30.66 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.834 1.253 . . . . 0.0 111.886 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 37.1 m -56.47 -40.34 74.72 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.338 1.455 . . . . 0.0 111.508 169.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.69 75.55 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.862 -0.524 . . . . 0.0 110.331 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.37 -43.38 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.084 -1.01 . . . . 0.0 111.377 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.8 mt -55.4 -43.54 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.375 1.07 . . . . 0.0 111.598 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.23 -36.34 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.797 0.839 . . . . 0.0 110.899 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.17 -43.54 98.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.772 1.169 . . . . 0.0 111.695 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.37 -49.17 78.83 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.925 0.89 . . . . 0.0 110.638 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.42 97.3 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.869 0.867 . . . . 0.0 112.653 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.5 -51.46 42.99 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -66.8 -24.72 66.21 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.49 -0.756 . . . . 0.0 112.877 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -47.09 65.69 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.713 0.805 . . . . 0.0 110.82 168.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.38 -36.53 78.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.109 0.964 . . . . 0.0 112.949 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.4 mt -52.44 -33.18 42.92 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.276 0.944 . . . . 0.0 112.903 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.36 -28.31 66.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.831 0.852 . . . . 0.0 112.601 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 71.6 mttt -80.69 -31.58 36.18 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.967 1.707 . . . . 0.0 111.456 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -8.94 22.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.387 2.275 . . . . 0.0 114.964 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 20.8 pttm -70.28 -13.63 62.25 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 20.3 m -77.9 15.85 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.34 151.01 42.02 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.014 1.325 . . . . 0.0 112.371 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.438 1.495 . . . . 0.0 112.621 176.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.665 0.269 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -77.97 18.05 0.53 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -58.28 143.01 46.12 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.85 1.26 . . . . 0.0 112.464 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -92.1 146.32 23.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.77 0.828 . . . . 0.0 113.02 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 p -76.12 161.99 28.38 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.061 0.944 . . . . 0.0 110.8 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.42 -31.89 71.83 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.901 -1.124 . . . . 0.0 112.341 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.64 -44.14 74.82 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.941 0.896 . . . . 0.0 112.148 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.41 -43.62 98.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.268 0.627 . . . . 0.0 111.139 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.61 -44.74 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.782 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.0 75.88 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.501 1.046 . . . . 0.0 113.2 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.7 -46.68 78.09 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 111.723 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -67.18 -34.23 77.08 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.735 -0.603 . . . . 0.0 112.405 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.3 -50.24 73.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.352 1.461 . . . . 0.0 110.917 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.77 -51.21 68.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.287 0.635 . . . . 0.0 111.92 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.9 -33.15 75.05 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -74.99 -46.95 31.77 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.242 0.928 . . . . 0.0 111.965 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -61.02 -22.66 64.76 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.509 1.124 . . . . 0.0 112.553 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.67 -21.31 17.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.726 1.611 . . . . 0.0 114.354 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -126.08 2.19 7.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.657 1.583 . . . . 0.0 112.945 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -76.22 76.29 3.03 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.559 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -60.48 -26.14 66.57 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -92.98 -11.34 33.45 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.896 1.278 . . . . 0.0 113.717 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.56 30.23 77.33 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.534 -0.729 . . . . 0.0 112.933 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.9 6.09 22.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.089 1.756 . . . . 0.0 113.671 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.45 24.82 55.85 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.838 1.209 . . . . 0.0 114.843 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 p -141.95 159.03 43.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.172 1.486 . . . . 0.0 113.825 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.4 pt -132.96 168.49 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 127.015 2.126 . . . . 0.0 110.046 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -79.54 159.29 26.95 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.309 1.052 . . . . 0.0 113.049 169.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.31 -26.32 67.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.38 1.072 . . . . 0.0 112.722 170.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.33 -41.35 73.34 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.311 1.044 . . . . 0.0 112.181 172.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.77 -18.06 61.02 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.19 -60.67 2.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.585 1.154 . . . . 0.0 111.623 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -30.17 77.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 122.096 -0.377 . . . . 0.0 113.263 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -64.37 -40.4 95.77 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.014 0.907 . . . . 0.0 111.145 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.325 1.3 m -74.92 -34.04 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.318 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.5 mtp -56.99 -41.11 77.85 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.922 1.692 . . . . 0.0 112.033 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -67.44 -22.11 65.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.295 1.038 . . . . 0.0 112.889 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -68.75 -34.63 75.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.163 0.892 . . . . 0.0 111.815 169.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.09 1.85 19.79 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.299 1.04 . . . . 0.0 113.069 168.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.96 82.27 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.561 1.553 . . . . 0.0 115.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.26 120.84 26.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.16 1.48 . . . . 0.0 110.12 172.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -103.94 92.77 4.7 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.543 0.737 . . . . 0.0 110.96 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.14 161.07 44.12 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.755 2.97 . . . . 0.0 112.225 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 t -91.73 162.75 14.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.651 0.78 . . . . 0.0 112.692 170.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.03 -42.92 99.89 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.692 -1.255 . . . . 0.0 113.052 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.21 78.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.253 0.621 . . . . 0.0 112.325 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.33 -43.2 82.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.1 1.36 . . . . 0.0 111.657 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.08 -46.57 89.14 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.883 -0.511 . . . . 0.0 111.205 171.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -59.86 -41.52 91.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.267 0.627 . . . . 0.0 112.224 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.99 -39.1 93.37 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.032 0.933 . . . . 0.0 113.141 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.9 mtm -72.54 -41.0 66.3 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.065 0.848 . . . . 0.0 112.191 174.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.8 -28.39 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.041 0.937 . . . . 0.0 111.654 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.905 1.23 . . . . 0.0 112.866 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.95 -48.98 7.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.134 0.974 . . . . 0.0 112.375 172.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.7 t -67.42 -37.89 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.91 1.284 . . . . 0.0 113.207 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -118.23 51.16 1.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.342 1.857 . . . . 0.0 111.749 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.83 -22.28 62.04 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.08 -1.012 . . . . 0.0 113.4 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -77.42 -16.68 58.69 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.779 1.232 . . . . 0.0 113.897 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.99 29.76 70.5 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.533 1.063 . . . . 0.0 114.574 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -76.56 -22.23 54.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.161 1.384 . . . . 0.0 113.687 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.93 15.38 72.81 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.597 1.57 . . . . 0.0 115.326 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -132.7 162.18 32.06 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.092 1.446 . . . . 0.0 113.987 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 mt -137.7 135.19 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.445 2.298 . . . . 0.0 108.209 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.2 157.16 18.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.207 0.603 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -56.59 9.79 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 117.944 -1.026 . . . . 0.0 113.546 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.39 -23.26 32.67 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 121.865 1.71 . . . . 0.0 113.624 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.5 -36.72 65.8 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.792 0.724 . . . . 0.0 111.568 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -63.72 -40.88 97.83 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.493 -0.754 . . . . 0.0 112.249 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.38 -20.79 63.42 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -43.15 97.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.293 0.951 . . . . 0.0 111.872 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -76.81 -35.17 57.77 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.943 -1.098 . . . . 0.0 111.675 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.01 -34.53 77.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.215 0.606 . . . . 0.0 112.004 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.12 38.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.454 1.102 . . . . 0.0 112.72 173.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -71.49 -29.67 65.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -64.16 -34.67 78.61 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.231 0.923 . . . . 0.0 112.798 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.9 mtm -74.25 -55.1 6.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.042 0.837 . . . . 0.0 111.62 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -98.8 63.91 1.43 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.45 1.5 . . . . 0.0 112.176 -170.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 p30 -80.22 0.93 30.38 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.128 0.971 . . . . 0.0 113.028 169.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.7 p -68.82 162.65 25.94 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.84 2.456 . . . . 0.0 114.55 -170.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -62.4 159.26 15.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.427 1.491 . . . . 0.0 112.613 169.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 t -153.15 154.95 35.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.827 1.651 . . . . 0.0 110.112 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -55.85 -44.87 78.42 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.356 -0.84 . . . . 0.0 112.665 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.96 -32.65 74.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.964 0.905 . . . . 0.0 112.135 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.63 -47.57 21.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.804 1.242 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.95 -47.49 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.383 1.473 . . . . 0.0 110.427 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -62.2 -38.89 90.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.108 0.563 . . . . 0.0 112.091 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -75.76 -39.26 57.43 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -36.69 78.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.409 1.083 . . . . 0.0 112.286 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.69 -42.25 86.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.018 -1.051 . . . . 0.0 112.254 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -60.64 -25.45 66.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.069 -1.019 . . . . 0.0 113.402 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -66.38 -22.91 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.934 1.694 . . . . 0.0 113.139 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.413 ' CE2' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -99.63 -25.95 14.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.212 1.405 . . . . 0.0 113.429 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -58.8 134.38 56.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.715 1.206 . . . . 0.0 110.299 174.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.53 -25.89 68.27 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -153.85 4.95 0.29 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.3 44.47 13.3 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 120.627 -1.295 . . . . 0.0 113.055 -171.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -77.29 -19.06 57.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.282 2.233 . . . . 0.0 113.489 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.06 14.44 54.63 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.275 1.417 . . . . 0.0 114.054 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -151.16 162.02 41.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.363 1.065 . . . . 0.0 112.427 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.3 mt -125.77 154.6 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.482 1.913 . . . . 0.0 109.421 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -75.67 143.22 42.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 119.885 -1.759 . . . . 0.0 111.44 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.19 -42.02 65.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.718 0.807 . . . . 0.0 112.758 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.33 80.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.614 0.766 . . . . 0.0 112.31 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -71.87 -42.94 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.51 0.724 . . . . 0.0 112.225 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.05 -39.6 75.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.046 0.839 . . . . 0.0 111.125 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -60.87 -40.32 92.54 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.01 0.823 . . . . 0.0 111.931 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.12 -63.31 1.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.809 0.732 . . . . 0.0 110.65 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.413 HG21 ' CE2' ' A' ' 92' ' ' PHE . 12.2 p -65.28 -36.57 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.197 0.908 . . . . 0.0 113.129 -171.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.0 mmt -67.97 -14.76 63.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.4 p -117.69 -2.71 11.37 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.245 1.018 . . . . 0.0 113.715 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -103.27 -38.53 7.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.677 1.591 . . . . 0.0 113.044 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.4 mt -126.84 139.7 52.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.809 1.244 . . . . 0.0 111.426 -168.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.59 -150.7 40.31 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 114.443 0.537 . . . . 0.0 114.443 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.1 49.2 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.855 1.662 . . . . 0.0 113.913 -172.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -4.47 108.1 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 130.841 3.657 . . . . 0.0 115.246 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.62 148.83 47.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.806 0.842 . . . . 0.0 112.0 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -68.81 161.18 29.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.914 0.886 . . . . 0.0 110.33 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.23 -45.21 80.05 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.695 -1.253 . . . . 0.0 114.262 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -76.05 -27.74 57.39 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.016 -1.053 . . . . 0.0 112.53 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -72.3 -41.8 66.2 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 111.729 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.2 -35.91 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.968 0.907 . . . . 0.0 111.503 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.46 -38.12 86.64 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.196 -0.94 . . . . 0.0 111.496 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.94 -33.81 67.38 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.086 0.857 . . . . 0.0 112.118 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.0 ttm -66.69 -49.31 66.53 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.15 0.58 . . . . 0.0 110.647 173.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.16 -42.63 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.918 0.781 . . . . 0.0 111.026 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -53.41 -34.75 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.801 1.24 . . . . 0.0 113.713 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -107.63 -22.55 12.47 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.03 -31.31 27.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.902 0.881 . . . . 0.0 113.043 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -77.85 64.81 3.16 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.242 1.417 . . . . 0.0 111.593 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.5 pt -62.22 -23.05 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.464 1.106 . . . . 0.0 113.825 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -89.11 -9.62 50.4 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.865 1.266 . . . . 0.0 113.79 174.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.55 17.66 74.87 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.183 1.373 . . . . 0.0 115.794 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -130.62 34.54 4.12 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.061 1.744 . . . . 0.0 113.451 -174.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.24 22.98 66.77 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.238 1.399 . . . . 0.0 114.628 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.47 84.41 2.27 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.374 1.469 . . . . 0.0 109.313 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.74 109.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.898 1.279 . . . . 0.0 111.125 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -85.67 91.85 8.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 122.289 1.042 . . . . 0.0 110.379 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -64.81 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.697 -1.138 . . . . 0.0 112.917 -176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.2 -36.43 77.26 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.639 1.109 . . . . 0.0 111.962 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -73.76 -40.23 63.64 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.303 -0.873 . . . . 0.0 110.907 168.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.08 -41.13 95.31 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.342 1.057 . . . . 0.0 113.62 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.53 -41.92 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.315 0.961 . . . . 0.0 111.369 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.69 -43.56 93.14 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.124 0.57 . . . . 0.0 111.324 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -62.44 -47.69 82.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.589 -0.694 . . . . 0.0 112.526 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.8 mtm -63.09 -37.76 88.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.068 0.547 . . . . 0.0 112.056 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 70.4 p -86.28 -22.95 26.52 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.86 51.71 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.634 1.106 . . . . 0.0 113.108 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.249 1.82 . . . . 0.0 110.97 -179.432 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 CA-C-O 119.124 -0.82 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -64.26 162.27 30.8 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.826 3.017 . . . . 0.0 113.41 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 165.55 144.66 4.15 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.016 1.293 . . . . 0.0 112.504 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 15.0 m -72.73 31.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.924 1.69 . . . . 0.0 115.139 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -155.49 -7.34 0.12 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -60.04 -31.58 70.1 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -69.1 -40.42 78.4 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.398 0.999 . . . . 0.0 112.762 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -71.41 -40.96 70.15 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.648 0.658 . . . . 0.0 111.602 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.16 -43.41 78.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.026 1.33 . . . . 0.0 111.69 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -64.19 -28.66 69.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.8 m -99.21 -30.41 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.482 1.113 . . . . 0.0 112.178 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -55.05 -39.79 69.58 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.396 1.078 . . . . 0.0 110.855 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 110.37 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.52 -38.42 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 120.943 -1.098 . . . . 0.0 112.164 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.9 mt -58.52 -43.87 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.021 0.929 . . . . 0.0 110.748 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.3 -39.24 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.363 1.065 . . . . 0.0 111.075 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -58.31 -45.96 87.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.493 1.117 . . . . 0.0 111.871 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -67.84 -44.34 77.43 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.17 0.988 . . . . 0.0 111.544 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.38 81.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.463 0.705 . . . . 0.0 112.801 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -66.55 -52.31 47.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.221 0.608 . . . . 0.0 112.216 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -63.76 -34.1 77.14 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.047 -1.033 . . . . 0.0 112.298 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.74 -36.55 76.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.867 1.212 . . . . 0.0 111.69 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.02 -41.52 70.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 171.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.08 -38.1 78.66 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.465 -0.772 . . . . 0.0 111.89 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.22 -36.74 83.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.982 0.913 . . . . 0.0 112.446 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.12 -39.0 93.09 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.605 1.093 . . . . 0.0 112.401 170.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.21 -39.11 86.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.771 0.828 . . . . 0.0 112.955 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.25 -50.0 15.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.737 1.215 . . . . 0.0 113.17 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 18.7 t -89.04 69.61 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 0.0 110.326 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.1 151.4 45.52 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.735 1.214 . . . . 0.0 111.934 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 28.7 tptp . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.33 1.452 . . . . 0.0 112.305 177.044 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -124.0 -11.6 7.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.087 . . . . 0.0 113.591 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -73.34 146.76 44.99 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.13 0.972 . . . . 0.0 112.007 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -94.09 142.55 27.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.719 1.207 . . . . 0.0 111.842 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 m -71.16 153.72 42.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.715 1.206 . . . . 0.0 110.397 170.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -54.8 -34.56 62.87 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.848 -1.157 . . . . 0.0 113.891 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -70.39 -38.77 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.844 0.858 . . . . 0.0 112.421 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -64.18 -47.11 81.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.723 0.809 . . . . 0.0 110.166 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.01 -46.31 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.153 0.981 . . . . 0.0 110.808 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.24 74.36 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.595 1.089 . . . . 0.0 113.284 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -68.38 -44.4 75.24 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.967 -1.083 . . . . 0.0 111.509 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -63.05 -37.29 86.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 112.074 171.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -60.18 -46.8 88.49 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 110.608 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.99 -45.25 93.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.911 0.884 . . . . 0.0 112.379 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.29 96.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -75.75 -46.6 30.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.821 0.737 . . . . 0.0 112.594 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.3 p -63.75 -17.09 62.68 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.8 -20.73 37.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.301 1.44 . . . . 0.0 113.967 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -126.4 -2.42 6.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.627 1.571 . . . . 0.0 113.083 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -78.29 71.4 4.76 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.967 -1.083 . . . . 0.0 110.641 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.56 55.67 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -174.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.96 -18.67 26.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.498 1.119 . . . . 0.0 113.911 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.01 13.63 75.98 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.042 0.83 . . . . 0.0 114.184 -170.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -83.26 -2.13 54.85 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 114.033 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.9 25.1 39.03 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.66 1.124 . . . . 0.0 114.273 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -140.84 158.49 43.89 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 119.24 1.52 . . . . 0.0 114.138 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -132.42 171.71 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.845 2.058 . . . . 0.0 110.68 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -87.34 155.37 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.242 1.02 . . . . 0.0 112.967 170.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.48 -30.81 68.8 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 0.0 112.668 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.23 -28.18 65.06 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -82.05 -17.14 47.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.843 1.257 . . . . 0.0 113.578 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.51 -60.26 2.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.672 1.189 . . . . 0.0 111.436 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.5 -25.59 71.5 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.966 -0.459 . . . . 0.0 113.673 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.46 -43.03 82.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.912 0.885 . . . . 0.0 110.896 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.287 1.4 m -73.79 -28.49 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.899 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.3 mtp -62.46 -40.78 97.74 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.971 1.714 . . . . 0.0 111.863 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -59.22 -29.51 67.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.639 0.775 . . . . 0.0 112.51 172.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -66.89 -20.56 65.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.5 -1.03 57.88 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.963 1.305 . . . . 0.0 112.604 168.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.95 90.21 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.054 1.311 . . . . 0.0 114.636 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -92.23 120.96 33.3 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.736 1.268 . . . . 0.0 109.88 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.44 77.37 4.26 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 121.142 -0.974 . . . . 0.0 110.687 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -63.81 153.23 76.73 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.57 2.847 . . . . 0.0 112.759 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.1 m -78.68 152.28 31.73 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.304 1.041 . . . . 0.0 111.163 169.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.57 -36.65 69.56 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.893 -1.129 . . . . 0.0 113.825 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.551 0.74 . . . . 0.0 112.802 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.73 -45.11 72.35 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.411 0.685 . . . . 0.0 110.912 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.2 mt -58.2 -47.88 82.08 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.302 0.641 . . . . 0.0 111.3 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -63.26 -39.21 93.97 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.86 -42.54 97.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.971 0.805 . . . . 0.0 112.15 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.11 -39.68 93.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.487 -0.758 . . . . 0.0 111.948 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.03 -31.4 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.427 -0.796 . . . . 0.0 111.994 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.69 -28.55 69.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 120.352 1.433 . . . . 0.0 112.807 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -80.59 -47.25 14.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.576 0.75 . . . . 0.0 112.244 170.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 t -73.93 -49.31 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.826 1.251 . . . . 0.0 113.462 -174.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -95.66 48.43 1.14 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 112.104 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -24.27 65.31 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.077 -1.014 . . . . 0.0 113.265 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -78.76 -13.19 59.95 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.868 1.267 . . . . 0.0 113.942 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.02 73.41 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.717 1.151 . . . . 0.0 114.782 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -81.32 -15.69 54.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.744 1.217 . . . . 0.0 113.821 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.92 20.32 76.22 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.737 1.16 . . . . 0.0 114.379 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.5 p -135.03 160.04 39.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.88 1.272 . . . . 0.0 113.858 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.3 mt -139.86 133.98 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.198 2.199 . . . . 0.0 108.41 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 155.9 19.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.974 170.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -47.37 -54.55 21.02 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.21 -23.55 33.19 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.106 1.871 . . . . 0.0 113.496 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.77 -36.73 65.12 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.489 -0.757 . . . . 0.0 111.549 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -62.48 -41.04 98.52 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.442 -0.786 . . . . 0.0 111.755 171.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.34 -21.62 64.18 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -35.88 77.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.085 0.857 . . . . 0.0 112.551 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.51 -33.13 23.61 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.3 0.5 . . . . 0.0 112.101 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.81 -18.87 65.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.296 1.039 . . . . 0.0 113.423 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.4 66.98 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.928 0.785 . . . . 0.0 112.768 168.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -105.86 -53.86 2.57 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.311 1.844 . . . . 0.0 112.491 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.5 36.37 0.1 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.803 2.441 . . . . 0.0 113.2 175.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 ttm -71.36 65.07 0.41 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.301 1.84 . . . . 0.0 115.086 -168.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.296 21.2 ptmt 53.6 -23.36 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 131.58 3.952 . . . . 0.0 118.113 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 50.57 43.28 27.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.926 2.09 . . . . 0.0 114.067 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -70.05 113.43 7.25 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.319 -0.863 . . . . 0.0 110.39 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -75.04 131.95 40.96 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.803 1.641 . . . . 0.0 112.857 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -88.06 114.93 25.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.542 1.137 . . . . 0.0 113.429 -170.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.47 -48.65 76.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.378 1.071 . . . . 0.0 113.826 -172.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -66.08 -32.99 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.577 -0.702 . . . . 0.0 112.032 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -47.46 76.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.689 0.796 . . . . 0.0 111.042 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.02 -47.25 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 124.628 1.171 . . . . 0.0 110.947 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -56.97 -46.9 81.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.195 0.907 . . . . 0.0 111.799 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -70.63 -40.25 73.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.528 0.604 . . . . 0.0 112.557 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -35.74 79.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.824 0.849 . . . . 0.0 112.756 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.95 -43.92 77.95 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.148 -0.97 . . . . 0.0 112.159 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -59.28 -27.98 66.34 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 113.005 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.7 t -60.3 -32.76 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.269 1.428 . . . . 0.0 112.583 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 108' ' ' VAL . 15.6 m-85 -93.79 -9.9 35.96 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -59.34 113.55 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.479 1.036 . . . . 0.0 110.54 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -77.66 -18.57 56.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.146 1.378 . . . . 0.0 114.251 -169.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -123.05 -11.47 8.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.24 1.416 . . . . 0.0 114.204 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 31.78 68.06 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.381 0.991 . . . . 0.0 112.355 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -113.62 8.22 17.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.685 1.594 . . . . 0.0 114.594 -168.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.35 23.27 61.11 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.84 -1.163 . . . . 0.0 114.3 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -150.51 169.0 22.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.679 1.591 . . . . 0.0 110.171 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -129.96 139.32 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.556 1.542 . . . . 0.0 109.051 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -67.03 140.32 57.67 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.698 -1.252 . . . . 0.0 111.007 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.17 89.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.948 -1.095 . . . . 0.0 112.959 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.47 72.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.516 0.726 . . . . 0.0 112.87 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -73.11 -42.3 63.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 111.737 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.63 -41.69 79.11 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.486 0.584 . . . . 0.0 110.832 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -60.01 -39.68 86.64 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.945 0.793 . . . . 0.0 112.058 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -56.66 -63.33 1.24 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.961 0.8 . . . . 0.0 110.644 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' CE2' ' A' ' 92' ' ' PHE . 14.6 p -63.51 -36.83 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.053 0.842 . . . . 0.0 112.776 -172.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -68.0 -14.79 63.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -120.46 -3.12 9.92 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.499 1.12 . . . . 0.0 113.882 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -99.2 -33.94 10.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.438 1.895 . . . . 0.0 112.64 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt -128.28 160.84 30.9 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.421 1.488 . . . . 0.0 111.123 -169.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.79 -141.28 32.97 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.688 0.605 . . . . 0.0 114.324 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.55 -18.0 61.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.027 1.331 . . . . 0.0 112.742 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? 62.24 106.57 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.424 2.689 . . . . 0.0 112.745 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.51 153.47 42.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.705 0.802 . . . . 0.0 111.822 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.86 159.86 27.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.735 0.814 . . . . 0.0 110.65 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -55.07 -41.41 71.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.891 1.276 . . . . 0.0 114.153 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.72 -32.17 35.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.294 -0.879 . . . . 0.0 112.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -65.83 -41.74 91.4 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.202 -0.936 . . . . 0.0 111.343 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.91 -34.42 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.252 -0.905 . . . . 0.0 112.559 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -69.98 -34.33 73.23 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.977 -1.077 . . . . 0.0 112.36 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.77 -25.9 68.39 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 112.486 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -68.38 -55.23 12.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.554 0.616 . . . . 0.0 109.751 170.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.25 -34.67 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.575 0.625 . . . . 0.0 111.429 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -49.16 -42.56 40.07 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.365 . . . . 0.0 113.11 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -42.93 9.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.337 0.655 . . . . 0.0 111.844 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.4 80.97 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.997 1.719 . . . . 0.0 113.327 -168.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -80.37 82.5 6.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.362 1.465 . . . . 0.0 111.325 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.9 mm -57.72 -38.27 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.136 1.374 . . . . 0.0 112.466 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.63 -19.28 38.59 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.47 11.03 76.24 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.025 0.822 . . . . 0.0 114.091 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -110.01 26.92 10.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.842 2.057 . . . . 0.0 112.761 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.1 27.19 70.7 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.13 1.348 . . . . 0.0 114.17 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.49 86.17 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.178 1.391 . . . . 0.0 109.915 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.45 120.63 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 O-C-N 121.815 -0.553 . . . . 0.0 110.047 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -97.72 90.0 4.83 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.42 1.105 . . . . 0.0 110.87 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -61.62 -28.51 69.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.509 -1.223 . . . . 0.0 113.501 -174.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -26.44 67.99 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.129 0.877 . . . . 0.0 112.534 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.59 -41.95 15.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.138 0.975 . . . . 0.0 111.246 168.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.71 -41.15 98.99 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.093 0.957 . . . . 0.0 113.145 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.6 p -59.73 -42.4 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.543 1.137 . . . . 0.0 112.201 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.57 -38.59 87.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.981 0.912 . . . . 0.0 111.727 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.0 ttp -67.82 -45.66 74.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.853 0.861 . . . . 0.0 112.348 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.5 -48.06 81.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.05 0.54 . . . . 0.0 111.874 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.8 p -77.52 7.38 5.57 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.21 152.83 16.32 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.194 -0.941 . . . . 0.0 112.391 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.553 1.541 . . . . 0.0 113.121 -174.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 CA-C-O 118.801 -0.999 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.37 136.48 59.74 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.721 2.28 . . . . 0.0 111.241 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 77.96 -9.02 33.76 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.63 1.109 . . . . 0.0 115.782 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.7 m -69.38 -5.17 21.79 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.898 1.849 . . . . 0.0 114.971 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.03 -23.79 55.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.381 2.273 . . . . 0.0 113.375 169.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -42.12 -42.76 3.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.693 2.397 . . . . 0.0 113.319 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.52 -40.12 68.3 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.987 1.315 . . . . 0.0 113.485 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -88.9 -40.02 13.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.173 0.989 . . . . 0.0 112.575 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.27 -46.47 85.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.771 1.228 . . . . 0.0 112.239 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -66.8 -26.2 66.83 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.8 m -98.4 -31.75 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.285 1.034 . . . . 0.0 112.316 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 55.5 m -57.3 -40.41 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.576 1.15 . . . . 0.0 110.848 170.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.17 81.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 0.0 110.351 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.05 -39.52 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.0 0.92 . . . . 0.0 111.965 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.8 mt -59.19 -44.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.549 1.139 . . . . 0.0 111.339 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.19 -37.73 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.052 0.941 . . . . 0.0 110.095 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.64 -33.8 76.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.093 -1.004 . . . . 0.0 112.824 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -65.49 -54.4 28.77 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.943 0.792 . . . . 0.0 110.603 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.32 78.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.331 1.053 . . . . 0.0 113.008 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.26 -53.29 46.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -26.85 61.3 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.92 -1.113 . . . . 0.0 111.818 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 32.5 tpt85 -61.5 -40.87 96.16 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.76 0.709 . . . . 0.0 110.944 169.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.22 -41.28 85.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.987 0.915 . . . . 0.0 112.963 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.83 -40.7 69.85 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.655 0.661 . . . . 0.0 111.204 172.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.71 -39.11 93.5 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.402 0.681 . . . . 0.0 112.691 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 78.4 mttt -64.55 -38.17 90.1 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.528 1.131 . . . . 0.0 112.875 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -82.38 -21.27 35.94 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 64.9 tttm -71.44 -42.64 67.97 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.863 1.265 . . . . 0.0 111.87 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 26.0 t -138.71 116.22 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.744 1.218 . . . . 0.0 110.05 171.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -77.01 170.89 15.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.15 1.38 . . . . 0.0 113.659 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 63.6 mtpt . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.276 1.83 . . . . 0.0 111.63 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.479 0.657 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -102.15 14.64 31.39 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -171.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.33 160.06 20.77 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.386 1.075 . . . . 0.0 113.599 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 mt -138.23 158.49 44.19 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 129.379 3.072 . . . . 0.0 110.477 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 p -73.8 161.37 30.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 0.0 110.3 168.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.34 -34.67 72.64 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.091 -1.006 . . . . 0.0 111.764 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -64.56 -46.67 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.85 1.26 . . . . 0.0 112.128 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.35 -37.88 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.042 0.837 . . . . 0.0 112.493 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mt -64.72 -45.06 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.017 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.31 74.92 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.504 1.047 . . . . 0.0 113.006 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.1 -47.92 82.49 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.27 -0.894 . . . . 0.0 111.382 171.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -70.13 -34.4 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.179 0.592 . . . . 0.0 112.462 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -54.49 -51.08 66.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.619 1.568 . . . . 0.0 110.944 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.38 -53.5 51.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.233 0.613 . . . . 0.0 111.656 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.18 72.28 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.59 -49.13 22.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.901 0.88 . . . . 0.0 111.597 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -61.21 -26.5 67.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 112.396 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.85 -22.61 26.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.398 1.479 . . . . 0.0 114.047 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -119.04 2.77 11.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.981 1.712 . . . . 0.0 113.169 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -74.82 69.11 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.045 1.338 . . . . 0.0 110.662 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -66.22 -18.68 65.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.15 1.38 . . . . 0.0 114.382 -174.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.97 -21.35 26.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.677 1.191 . . . . 0.0 113.621 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.89 77.02 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.665 1.126 . . . . 0.0 114.207 -174.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -100.22 -1.0 37.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.808 1.643 . . . . 0.0 114.586 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.77 25.03 57.2 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.054 -1.029 . . . . 0.0 113.528 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.9 p -142.1 161.23 38.52 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.273 1.429 . . . . 0.0 112.612 -172.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 pt -134.61 173.13 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.285 1.834 . . . . 0.0 110.588 172.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.5 p -85.43 158.24 20.26 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.262 1.029 . . . . 0.0 112.638 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.8 p -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.434 1.094 . . . . 0.0 112.369 170.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.89 -44.51 63.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.709 1.204 . . . . 0.0 112.565 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.53 -13.95 60.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.29 -58.2 4.91 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.807 1.243 . . . . 0.0 111.617 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -27.92 73.24 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 121.356 -0.84 . . . . 0.0 113.196 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -67.91 -41.3 82.89 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.394 1.097 . . . . 0.0 111.388 172.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.86 -40.47 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.595 1.158 . . . . 0.0 111.116 173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.5 mtp -62.38 -45.03 95.0 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 111.892 172.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -64.22 -30.94 71.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.181 0.993 . . . . 0.0 112.638 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -63.76 -29.41 70.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.124 0.97 . . . . 0.0 112.769 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.19 7.39 25.27 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.854 1.661 . . . . 0.0 113.37 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.7 86.05 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.457 1.504 . . . . 0.0 115.357 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -94.96 116.83 29.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.683 1.242 . . . . 0.0 110.294 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -102.41 94.58 5.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 121.491 -0.756 . . . . 0.0 110.863 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.1 156.91 55.17 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.404 3.403 . . . . 0.0 113.368 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.7 m -74.94 147.04 41.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 110.533 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.51 -35.71 81.35 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.371 -1.455 . . . . 0.0 113.292 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.51 72.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.34 -43.57 69.98 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.611 0.764 . . . . 0.0 111.222 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.66 -47.72 79.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.568 0.747 . . . . 0.0 111.176 171.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.0 -42.53 90.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.366 0.667 . . . . 0.0 112.117 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.21 -44.62 87.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.761 0.824 . . . . 0.0 112.549 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mtm -64.63 -39.72 94.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.61 -31.8 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.444 -0.785 . . . . 0.0 111.427 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.4 -29.16 69.83 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.451 1.478 . . . . 0.0 112.887 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -74.97 -48.25 25.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.174 0.897 . . . . 0.0 111.93 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -77.43 -49.77 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -172.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -96.58 50.6 1.14 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.428 1.491 . . . . 0.0 112.265 -176.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.88 65.29 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.151 -0.968 . . . . 0.0 113.178 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.01 -13.76 59.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.908 1.283 . . . . 0.0 113.95 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.84 72.88 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.698 1.142 . . . . 0.0 114.791 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.97 -15.82 56.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.642 1.177 . . . . 0.0 113.916 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.34 18.34 74.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.921 1.248 . . . . 0.0 114.383 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.3 p -134.44 160.29 38.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.051 1.34 . . . . 0.0 113.787 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -139.9 136.5 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.051 2.14 . . . . 0.0 109.423 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.57 158.15 16.6 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.313 0.645 . . . . 0.0 111.622 171.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -41.95 -53.35 8.27 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.43 -28.86 26.34 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.878 1.718 . . . . 0.0 114.222 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.52 -31.94 67.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.208 -0.933 . . . . 0.0 112.418 173.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.81 -47.1 70.02 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.555 -0.716 . . . . 0.0 111.104 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.77 73.1 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.154 -0.966 . . . . 0.0 112.197 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -51.93 -52.37 50.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.738 1.615 . . . . 0.0 112.069 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.9 ptp -75.49 -32.41 60.56 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.658 -0.651 . . . . 0.0 112.239 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.2 mmm -66.9 -39.92 87.58 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.803 -0.561 . . . . 0.0 111.71 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.67 97.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.583 -0.698 . . . . 0.0 111.903 169.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.97 -43.39 91.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.482 1.113 . . . . 0.0 112.289 176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -64.86 -43.42 93.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.668 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.7 mmm -71.49 -45.79 61.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.421 1.089 . . . . 0.0 113.122 -175.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.99 107.2 2.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.641 1.176 . . . . 0.0 112.961 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.64 -13.29 60.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.732 1.213 . . . . 0.0 112.758 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 167.56 16.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.595 1.958 . . . . 0.0 113.75 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.39 157.75 3.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.127 1.771 . . . . 0.0 112.973 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -146.02 158.51 43.87 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.111 1.765 . . . . 0.0 109.37 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 tm-20 -60.88 -38.24 84.97 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.461 -0.775 . . . . 0.0 112.76 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.8 -45.26 93.47 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.196 0.998 . . . . 0.0 111.597 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.99 -46.53 84.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.808 1.243 . . . . 0.0 111.548 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.52 -47.63 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.439 1.496 . . . . 0.0 110.479 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -68.12 -35.19 77.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -65.76 -47.38 75.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.484 1.114 . . . . 0.0 111.652 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.21 -26.11 67.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.797 1.239 . . . . 0.0 113.965 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.34 -41.0 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.928 -1.108 . . . . 0.0 112.436 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -61.2 -26.35 67.66 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 m -72.29 -15.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -98.49 -25.24 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.899 1.28 . . . . 0.0 113.071 171.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.52 101.85 0.28 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -75.17 -17.12 60.45 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -110.64 -17.56 13.37 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.071 1.348 . . . . 0.0 113.789 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.27 16.5 78.7 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.04 1.305 . . . . 0.0 113.917 -172.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -95.43 2.71 54.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.319 1.448 . . . . 0.0 114.775 -169.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.06 59.52 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 119.661 1.119 . . . . 0.0 114.385 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -146.15 162.76 37.27 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.501 1.52 . . . . 0.0 109.777 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.6 mt -120.75 150.69 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 125.736 1.614 . . . . 0.0 108.953 174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.9 m -75.31 139.56 42.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.42 -1.425 . . . . 0.0 111.232 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.39 -42.08 81.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.163 -0.961 . . . . 0.0 112.85 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.0 -29.69 70.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -74.69 -43.11 56.81 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.39 -0.819 . . . . 0.0 111.852 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 tp -69.55 -37.22 76.96 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.149 0.886 . . . . 0.0 111.415 173.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -62.84 -35.3 79.49 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.139 0.881 . . . . 0.0 111.805 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -62.39 -65.28 0.71 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.608 169.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.25 -40.35 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 121.079 1.763 . . . . 0.0 112.733 -174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 32.9 mmt -75.87 -14.35 60.28 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.3 p -117.44 -4.31 11.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.486 1.114 . . . . 0.0 113.473 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -101.82 -28.73 12.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.0 1.72 . . . . 0.0 113.352 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.95 142.54 47.74 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.128 1.371 . . . . 0.0 110.753 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.19 -147.15 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 114.896 0.719 . . . . 0.0 114.896 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.65 44.1 0.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.704 1.602 . . . . 0.0 113.598 -175.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -3.51 108.17 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 131.211 3.804 . . . . 0.0 114.948 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.57 143.25 56.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.32 161.21 22.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.573 1.149 . . . . 0.0 110.867 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -48.72 -46.98 41.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.83 1.652 . . . . 0.0 114.657 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -84.6 -23.79 29.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.07 0.948 . . . . 0.0 113.106 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -72.76 -41.45 65.06 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.25 1.42 . . . . 0.0 111.71 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.02 -35.75 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.493 0.717 . . . . 0.0 111.088 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -64.93 -39.73 93.97 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.705 -0.622 . . . . 0.0 111.441 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -59.12 -37.4 77.14 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 0.0 111.429 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 ttm -67.39 -40.97 85.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.958 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.35 -44.54 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.011 1.278 . . . . 0.0 110.34 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -57.31 -38.93 74.77 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.949 1.299 . . . . 0.0 112.68 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -47.12 49.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.894 1.277 . . . . 0.0 112.898 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.14 -28.17 22.64 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -168.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -74.9 59.98 0.94 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.4 -30.58 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 126.911 2.084 . . . . 0.0 111.267 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -75.71 -11.26 59.96 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.685 1.194 . . . . 0.0 113.707 172.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.03 3.8 61.32 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 126.185 1.85 . . . . 0.0 116.638 170.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -124.25 35.49 4.81 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.429 1.891 . . . . 0.0 112.77 -169.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.39 27.88 68.89 Favored Glycine 0 CA--C 1.535 1.312 0 O-C-N 121.055 -1.028 . . . . 0.0 113.538 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.17 86.33 2.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.252 1.821 . . . . 0.0 108.693 -171.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.95 104.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.642 1.177 . . . . 0.0 110.817 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -84.72 82.7 8.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 122.145 0.974 . . . . 0.0 111.311 -169.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -61.3 -29.63 69.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.77 -170.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.28 -39.53 90.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.776 1.626 . . . . 0.0 112.555 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -81.18 -33.47 33.0 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.474 0.71 . . . . 0.0 112.088 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.7 -40.63 95.69 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.403 -0.811 . . . . 0.0 112.38 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.6 t -51.12 -60.4 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.54 1.136 . . . . 0.0 109.174 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.08 -23.67 60.57 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.622 -167.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.3 ttp -70.52 -46.58 63.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.518 1.127 . . . . 0.0 111.31 168.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.9 ttp -65.86 -33.61 76.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.641 1.176 . . . . 0.0 112.139 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.7 p -87.31 5.77 36.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.936 1.694 . . . . 0.0 115.126 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.97 165.16 5.75 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.827 1.651 . . . . 0.0 112.972 -179.407 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 CA-C-O 118.667 -1.074 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.58 146.5 73.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.509 2.806 . . . . 0.0 112.596 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 75.71 -77.31 1.28 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.556 1.074 . . . . 0.0 112.84 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 74.1 p -160.48 175.46 12.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.391 1.477 . . . . 0.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 19.1 pttp -62.93 -13.03 29.57 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 174.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 -54.89 -28.13 48.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.591 1.557 . . . . 0.0 113.983 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.58 -38.71 84.43 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.932 1.293 . . . . 0.0 112.86 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -84.12 -33.91 24.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.124 1.37 . . . . 0.0 112.545 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -51.03 -46.06 61.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.048 1.739 . . . . 0.0 113.059 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.89 -26.47 64.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -96.77 -29.85 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.369 1.068 . . . . 0.0 111.8 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 36.7 m -58.82 -40.77 85.12 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.701 1.201 . . . . 0.0 110.848 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.88 83.77 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.726 -0.609 . . . . 0.0 110.328 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.77 -43.55 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.624 -0.672 . . . . 0.0 111.441 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 11.8 mt -57.54 -43.56 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.788 0.835 . . . . 0.0 111.668 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.8 mt -68.99 -35.69 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.662 0.785 . . . . 0.0 110.468 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.39 -41.81 98.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.993 -1.067 . . . . 0.0 112.441 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -58.32 -49.06 78.53 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.198 0.999 . . . . 0.0 110.302 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.13 85.34 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.616 1.166 . . . . 0.0 113.059 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.4 t80 -69.84 -44.76 69.25 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.439 -0.788 . . . . 0.0 113.089 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -62.9 -26.82 68.98 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.143 -0.973 . . . . 0.0 112.246 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -47.46 86.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.379 1.072 . . . . 0.0 110.88 169.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -68.79 -34.83 76.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.235 1.014 . . . . 0.0 113.038 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 51.5 mt -55.46 -35.01 65.03 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.391 -0.818 . . . . 0.0 112.471 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.83 -40.41 54.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.136 0.974 . . . . 0.0 112.192 170.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -56.56 -32.9 65.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.058 1.343 . . . . 0.0 113.228 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -59.38 -38.41 80.45 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 171.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -88.73 -39.34 14.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.497 1.119 . . . . 0.0 113.389 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.9 p -67.17 139.79 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.032 0.933 . . . . 0.0 111.843 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 23.0 pttp -145.04 30.8 1.14 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.162 1.385 . . . . 0.0 113.833 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.3 tptt . . . . . 0 C--O 1.25 1.109 0 C-N-CA 126.058 1.743 . . . . 0.0 112.175 178.509 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -86.67 -11.3 51.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.01 1.324 . . . . 0.0 114.361 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.24 145.58 56.05 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.21 -0.931 . . . . 0.0 112.73 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -87.03 147.93 25.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.134 0.973 . . . . 0.0 111.871 174.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 p -72.28 160.66 32.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.745 0.818 . . . . 0.0 111.266 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.42 -30.09 69.4 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.79 -1.194 . . . . 0.0 112.702 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.0 -45.19 64.41 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.168 0.987 . . . . 0.0 111.948 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -60.89 -45.46 94.49 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.47 -45.64 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.54 74.19 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.973 1.26 . . . . 0.0 113.17 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.68 -44.97 84.61 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.085 -1.01 . . . . 0.0 111.658 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -66.51 -36.45 82.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.733 0.813 . . . . 0.0 112.272 172.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.88 -49.43 75.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.257 1.423 . . . . 0.0 110.327 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.1 -54.46 41.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.466 0.706 . . . . 0.0 111.748 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.05 74.82 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -72.91 -49.78 27.61 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.919 . . . . 0.0 111.419 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -61.54 -25.93 67.62 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.416 1.086 . . . . 0.0 112.725 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.35 -22.86 21.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.404 1.482 . . . . 0.0 114.002 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -118.29 0.74 11.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.106 1.762 . . . . 0.0 112.662 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -81.98 90.1 6.46 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.721 -1.237 . . . . 0.0 110.271 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HZ3' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -66.72 -23.57 66.13 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.83 -21.69 16.79 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 10.77 86.07 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.72 1.152 . . . . 0.0 114.241 -175.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -87.34 1.74 52.37 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.671 1.235 . . . . 0.0 114.072 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 30.68 28.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.19 1.376 . . . . 0.0 114.386 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -138.35 160.85 38.45 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.823 1.312 . . . . 0.0 114.258 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 pt -137.83 171.33 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.229 2.212 . . . . 0.0 110.639 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.8 p -82.51 159.3 22.87 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.365 1.078 . . . . 0.0 112.855 169.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.3 p -59.59 -29.48 67.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.543 1.137 . . . . 0.0 112.551 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -67.18 -40.67 86.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.681 1.192 . . . . 0.0 112.739 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' CD ' ' HZ3' ' A' ' 21' ' ' LYS . 27.2 mt-10 -77.23 -15.19 59.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.759 1.224 . . . . 0.0 114.279 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -57.87 5.52 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.621 1.168 . . . . 0.0 111.583 -177.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.39 -22.08 74.58 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.507 -0.746 . . . . 0.0 113.965 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -73.6 -42.13 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.798 1.239 . . . . 0.0 111.135 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.93 -38.36 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.82 1.248 . . . . 0.0 110.929 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.5 mtp -63.34 -44.01 96.09 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.071 -1.018 . . . . 0.0 112.287 170.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -65.93 -27.15 67.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -62.16 -31.28 71.76 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.817 0.735 . . . . 0.0 112.265 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -88.03 4.72 44.1 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.186 1.794 . . . . 0.0 113.84 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.24 -6.81 62.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.518 1.533 . . . . 0.0 116.022 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.45 131.87 35.21 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.206 1.503 . . . . 0.0 109.876 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -123.7 68.77 43.41 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.795 -166.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -66.66 155.04 72.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.02 3.147 . . . . 0.0 112.993 -173.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.6 m -75.44 154.0 37.31 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.699 1.2 . . . . 0.0 111.761 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.47 -43.34 97.04 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.294 -1.504 . . . . 0.0 113.235 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.19 75.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.485 -0.759 . . . . 0.0 112.623 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.95 -42.59 84.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 111.625 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.36 -47.39 85.59 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.867 0.867 . . . . 0.0 111.177 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.51 -40.22 96.04 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.469 0.577 . . . . 0.0 112.004 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.69 -38.22 90.31 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.102 0.865 . . . . 0.0 112.521 176.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.7 mtm -67.37 -40.54 85.74 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.365 -0.835 . . . . 0.0 112.335 170.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.05 -31.46 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.476 1.035 . . . . 0.0 111.612 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.8 -30.2 69.91 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.768 1.167 . . . . 0.0 112.383 173.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -84.04 -48.65 9.69 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.989 1.315 . . . . 0.0 112.495 172.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.2 t -73.49 -41.43 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.768 1.627 . . . . 0.0 113.11 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -108.57 47.81 0.89 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.016 1.727 . . . . 0.0 112.248 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.01 63.48 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.15 0.4 57.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 114.167 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.11 40.86 71.67 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 120.875 -1.14 . . . . 0.0 115.426 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -76.37 -23.36 54.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.224 1.41 . . . . 0.0 113.296 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.77 15.54 77.99 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.681 1.61 . . . . 0.0 114.346 -169.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -138.39 160.6 39.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 113.538 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.98 137.14 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.173 2.189 . . . . 0.0 108.748 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.58 155.6 18.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.566 0.746 . . . . 0.0 111.378 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -44.54 -52.43 17.64 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.02 -29.95 26.54 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 121.986 1.791 . . . . 0.0 113.822 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.2 -31.26 65.72 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.318 -0.863 . . . . 0.0 111.672 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -66.74 -46.77 74.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.614 0.766 . . . . 0.0 111.247 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.92 -35.19 76.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.398 0.999 . . . . 0.0 112.275 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -40.25 63.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.032 1.333 . . . . 0.0 112.56 171.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 ptp -83.92 -33.38 24.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.31 0.959 . . . . 0.0 113.339 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.4 -32.97 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.619 -0.676 . . . . 0.0 112.784 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.14 69.2 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.785 0.721 . . . . 0.0 112.211 171.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.314 0.2 OUTLIER -86.21 -12.22 50.34 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -98.77 -6.12 29.96 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 170.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.6 mtm -64.15 -42.36 96.81 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.461 1.028 . . . . 0.0 109.154 166.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -80.66 151.63 28.88 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.845 1.258 . . . . 0.0 109.558 166.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -156.64 158.35 36.87 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.751 0.82 . . . . 0.0 111.792 -172.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.2 p -79.28 131.25 36.1 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -152.38 155.77 38.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.753 2.021 . . . . 0.0 109.812 169.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.1 t -150.44 126.93 10.79 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.181 0.992 . . . . 0.0 111.839 -177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.51 -28.29 66.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.636 1.175 . . . . 0.0 112.948 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.4 -44.2 65.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.979 0.912 . . . . 0.0 111.465 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.24 -44.54 75.45 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.377 0.671 . . . . 0.0 112.156 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.71 -44.5 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 123.944 0.898 . . . . 0.0 110.524 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -58.83 -45.95 88.83 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.289 0.95 . . . . 0.0 112.191 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -69.89 -39.13 76.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.137 0.88 . . . . 0.0 112.717 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.51 65.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.719 1.207 . . . . 0.0 113.434 173.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -79.52 -42.18 25.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.046 -1.034 . . . . 0.0 110.826 167.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -60.38 -26.38 66.59 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.261 1.024 . . . . 0.0 113.761 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.6 m -68.8 -25.98 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE1' HG22 ' A' ' 108' ' ' VAL . 14.9 m-85 -90.33 -26.24 20.06 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.458 1.103 . . . . 0.0 112.718 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.22 113.19 2.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 110.528 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -77.84 -19.16 55.36 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -112.06 -15.47 13.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.819 1.247 . . . . 0.0 113.653 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 19.02 73.65 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.528 1.061 . . . . 0.0 113.172 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -94.28 3.59 55.02 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.909 1.683 . . . . 0.0 114.174 -169.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.79 19.41 59.73 Favored Glycine 0 CA--C 1.536 1.347 0 O-C-N 120.947 -1.096 . . . . 0.0 114.283 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -147.07 165.47 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.82 1.248 . . . . 0.0 111.136 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.0 mt -125.39 153.14 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.259 1.823 . . . . 0.0 109.114 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.77 142.83 40.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.076 -1.64 . . . . 0.0 110.654 172.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.88 74.7 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.037 -1.039 . . . . 0.0 112.958 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.18 -27.17 68.51 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.89 -44.12 56.31 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.975 0.91 . . . . 0.0 111.576 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.83 -39.06 80.21 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.596 0.634 . . . . 0.0 111.107 173.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -61.3 -38.84 88.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.304 0.642 . . . . 0.0 111.872 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.24 -64.66 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.412 0.551 . . . . 0.0 110.509 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' CE1' ' A' ' 92' ' ' PHE . 11.8 p -62.38 -38.2 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.908 0.776 . . . . 0.0 112.345 -171.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.1 mmt -69.34 -15.51 63.34 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -115.97 0.17 12.97 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.016 1.326 . . . . 0.0 113.693 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -112.72 -31.88 6.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.074 1.749 . . . . 0.0 113.182 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.8 mt -132.64 148.44 52.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.272 1.429 . . . . 0.0 111.036 -171.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.29 -140.23 30.56 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.976 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.42 -7.66 53.67 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt 50.55 93.47 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.067 2.547 . . . . 0.0 113.908 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.38 151.28 28.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.34 1.056 . . . . 0.0 112.061 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 159.86 24.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.802 0.841 . . . . 0.0 110.601 170.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.01 -39.22 81.2 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -77.63 -33.98 53.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.361 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.52 -40.41 89.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.836 1.654 . . . . 0.0 112.092 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.53 -31.92 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 111.971 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -37.23 84.56 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.633 -1.292 . . . . 0.0 111.402 174.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.46 -33.87 70.22 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.704 0.802 . . . . 0.0 111.548 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.7 ttm -66.75 -51.18 58.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.743 0.817 . . . . 0.0 110.945 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.02 -43.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.986 0.812 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -65.18 -20.61 66.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.435 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -110.55 -24.75 10.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.33 32.78 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.181 0.993 . . . . 0.0 113.386 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -74.3 116.56 15.1 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.14 -0.975 . . . . 0.0 110.951 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.5 pt -92.53 -8.72 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.873 1.269 . . . . 0.0 114.403 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -133.36 -12.68 2.73 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.06 -0.74 89.34 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.588 1.566 . . . . 0.0 115.182 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -93.13 18.1 9.9 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.21 1.505 . . . . 0.0 113.242 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.6 32.25 34.35 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 120.993 -1.067 . . . . 0.0 113.938 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.53 91.33 3.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.095 1.358 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.2 104.02 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.791 1.237 . . . . 0.0 110.874 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -83.16 96.43 8.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.406 1.098 . . . . 0.0 110.981 -177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.57 -26.13 65.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.96 -174.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -68.96 -31.4 70.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.192 1.36 . . . . 0.0 112.731 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.91 -43.99 42.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.462 -0.774 . . . . 0.0 110.44 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -64.29 -43.83 93.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.746 1.218 . . . . 0.0 113.985 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.01 -50.76 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.609 1.164 . . . . 0.0 111.145 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.9 -26.07 63.06 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.3 ttp -69.27 -46.96 65.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.668 0.667 . . . . 0.0 111.412 168.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -64.91 -43.59 92.33 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.392 0.542 . . . . 0.0 112.441 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p -77.88 -13.84 59.75 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.06 42.61 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.943 1.297 . . . . 0.0 113.793 -173.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.27 1.828 . . . . 0.0 111.852 -175.359 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 CA-C-O 118.99 -0.895 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -65.3 148.27 88.33 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.495 2.797 . . . . 0.0 112.538 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 72.61 6.95 67.78 Favored Glycine 0 CA--C 1.54 1.604 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 48.0 t -66.8 156.14 36.34 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.661 1.23 . . . . 0.0 113.389 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -54.82 -39.37 68.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.806 1.642 . . . . 0.0 112.03 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 48.8 tpt85 -57.5 -30.88 65.48 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -168.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -16.46 60.79 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -113.46 -19.97 11.48 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -51.63 -42.58 62.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.797 1.639 . . . . 0.0 112.308 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -69.6 -24.61 63.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.8 m -104.43 -28.25 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.671 1.189 . . . . 0.0 112.588 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.9 m -59.09 -38.21 78.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.145 0.978 . . . . 0.0 110.993 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.74 -40.4 75.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 110.816 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.17 -39.77 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.859 -1.15 . . . . 0.0 111.814 -175.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.3 mt -58.94 -41.46 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.212 1.005 . . . . 0.0 111.368 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.1 mt -71.38 -38.8 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.881 0.872 . . . . 0.0 110.815 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.81 -41.16 86.12 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.196 0.907 . . . . 0.0 111.814 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -58.58 -53.93 52.83 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.843 0.747 . . . . 0.0 111.274 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.74 83.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.116 0.966 . . . . 0.0 112.901 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.98 -53.69 29.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.71 -30.34 70.69 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.804 -0.56 . . . . 0.0 111.679 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -51.29 70.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.984 0.914 . . . . 0.0 111.062 169.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.87 -35.19 79.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 65.7 mt -54.93 -32.09 60.89 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.61 -42.99 50.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.613 0.765 . . . . 0.0 112.103 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.43 -41.31 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.419 1.088 . . . . 0.0 112.932 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -73.35 -23.56 60.24 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -76.74 -45.59 28.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.653 1.181 . . . . 0.0 111.827 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.6 p -154.68 137.99 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.2 1.4 . . . . 0.0 111.986 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 62.3 pttt -153.43 158.88 42.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.93 1.692 . . . . 0.0 111.876 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 10.0 tptp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.253 1.421 . . . . 0.0 112.737 179.057 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.543 0.211 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -83.99 -11.95 56.02 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.3 134.33 52.4 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.012 0.925 . . . . 0.0 111.923 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.8 122.19 34.93 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.042 0.537 . . . . 0.0 111.62 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -87.14 172.85 9.63 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.824 1.249 . . . . 0.0 110.582 168.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.57 -34.5 71.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.94 0.896 . . . . 0.0 111.924 171.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.32 -43.93 69.29 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.119 0.968 . . . . 0.0 112.218 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -61.24 -44.18 97.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.663 0.665 . . . . 0.0 111.219 172.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.17 -42.41 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.249 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.05 78.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.009 1.277 . . . . 0.0 112.756 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.5 -44.8 81.58 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.853 -1.155 . . . . 0.0 111.786 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -65.56 -35.1 79.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.563 0.745 . . . . 0.0 112.187 172.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.37 -50.69 73.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.607 1.563 . . . . 0.0 111.339 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.61 -49.75 72.07 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.603 0.761 . . . . 0.0 111.99 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.34 72.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -75.51 -51.52 12.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.259 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -63.33 -17.52 62.65 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.4 tp -55.04 -22.91 17.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.607 1.563 . . . . 0.0 114.268 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -126.0 6.59 7.26 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.44 1.496 . . . . 0.0 113.26 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.93 70.72 1.99 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.83 1.252 . . . . 0.0 110.29 173.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.71 -18.68 65.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.406 1.483 . . . . 0.0 114.483 -173.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.02 -19.05 26.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.705 1.202 . . . . 0.0 113.75 173.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.23 24.57 75.2 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.541 1.067 . . . . 0.0 114.303 -174.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -104.5 1.79 30.25 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.823 1.649 . . . . 0.0 114.508 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 25.49 54.23 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 120.931 -1.106 . . . . 0.0 113.765 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 p -141.12 159.04 43.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.033 1.333 . . . . 0.0 112.502 -174.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.81 165.94 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.1 1.76 . . . . 0.0 110.001 172.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -79.88 159.17 26.5 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.195 0.998 . . . . 0.0 112.312 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.3 p -62.85 -17.14 61.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.104 0.962 . . . . 0.0 112.652 169.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.0 -42.33 24.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.608 1.163 . . . . 0.0 112.465 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -72.59 -18.63 61.59 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.14 -59.58 2.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.808 1.243 . . . . 0.0 112.201 -175.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.8 -21.68 73.28 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.733 -0.604 . . . . 0.0 113.967 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 m -71.17 -40.2 71.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.466 -1.02 . . . . 0.0 110.664 170.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.304 1.3 m -72.36 -35.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.941 0.791 . . . . 0.0 112.283 173.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.7 mtp -59.01 -34.13 71.52 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.309 1.413 . . . . 0.0 112.859 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -68.18 -24.95 65.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -67.19 -33.4 75.31 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.329 0.968 . . . . 0.0 111.23 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.78 12.9 2.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.782 1.233 . . . . 0.0 113.965 168.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.83 74.23 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 117.177 1.631 . . . . 0.0 117.177 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -138.05 135.28 35.71 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.749 1.775 . . . . 0.0 113.186 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -90.04 106.37 14.33 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.301 0.641 . . . . 0.0 111.471 169.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -68.57 145.94 65.86 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.01 2.473 . . . . 0.0 111.427 168.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -68.42 150.25 48.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.162 0.985 . . . . 0.0 110.32 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -61.08 -30.5 70.38 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.355 -1.465 . . . . 0.0 113.132 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.14 -36.49 81.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.034 0.934 . . . . 0.0 112.92 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.78 -47.49 71.99 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.55 -0.719 . . . . 0.0 110.445 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -57.9 -45.74 86.01 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.091 0.556 . . . . 0.0 111.458 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.55 -43.13 93.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.348 0.659 . . . . 0.0 112.098 176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -66.58 -42.81 86.41 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.519 -0.738 . . . . 0.0 112.566 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 111.923 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.68 -29.34 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.321 -0.862 . . . . 0.0 111.442 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -65.18 -28.33 69.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.427 1.467 . . . . 0.0 113.017 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -74.93 -48.82 22.6 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.429 1.013 . . . . 0.0 111.774 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.42 -46.23 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 113.476 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -107.11 55.38 0.65 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.899 1.679 . . . . 0.0 112.593 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.81 -23.03 64.76 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.246 -0.909 . . . . 0.0 113.337 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -81.83 -15.1 55.2 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.99 1.316 . . . . 0.0 114.094 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.83 27.89 73.52 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.295 0.95 . . . . 0.0 114.352 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -18.55 57.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.26 1.424 . . . . 0.0 114.462 -174.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.53 10.62 85.05 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.438 1.494 . . . . 0.0 116.259 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 p -132.16 160.81 34.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.529 1.664 . . . . 0.0 114.455 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -132.54 134.77 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 128.113 2.565 . . . . 0.0 108.577 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.67 157.23 19.14 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.896 0.771 . . . . 0.0 111.555 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -45.43 -55.83 11.03 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.14 -22.51 30.26 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.801 1.667 . . . . 0.0 113.604 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.26 -26.11 52.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.53 -0.731 . . . . 0.0 112.32 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.93 -39.06 76.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.228 0.922 . . . . 0.0 111.968 169.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.88 -21.28 64.58 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 t -59.85 -35.11 74.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ptp -88.24 -31.32 19.1 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.918 -0.489 . . . . 0.0 111.645 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.89 -32.26 73.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.897 0.771 . . . . 0.0 112.595 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.98 -42.04 75.69 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.353 0.661 . . . . 0.0 112.17 169.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -81.02 -33.96 33.23 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.042 1.737 . . . . 0.0 113.597 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.01 -5.08 59.16 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.782 2.033 . . . . 0.0 114.754 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.6 mtm -70.24 91.91 0.75 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.277 0.944 . . . . 0.0 110.021 168.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -138.73 163.46 32.11 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.396 1.878 . . . . 0.0 112.33 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -132.09 35.72 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.545 1.938 . . . . 0.0 112.674 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.1 p -55.67 144.26 27.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.445 1.498 . . . . 0.0 113.502 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 62.5 -26.14 0.06 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 128.455 2.702 . . . . 0.0 116.481 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.0 t 58.93 114.25 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.816 2.846 . . . . 0.0 115.9 176.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.3 -42.45 86.67 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.177 -0.952 . . . . 0.0 112.318 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.18 -37.57 81.09 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.542 -0.724 . . . . 0.0 112.256 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.39 90.44 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.67 -0.644 . . . . 0.0 111.548 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.05 -47.58 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.61 0.764 . . . . 0.0 110.542 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -57.27 -46.12 83.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.33 0.968 . . . . 0.0 111.913 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -65.47 -42.3 92.41 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.035 0.834 . . . . 0.0 112.657 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.52 -22.75 64.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 113.714 175.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.34 -41.23 34.18 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.91 -1.119 . . . . 0.0 111.01 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.01 -26.4 68.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.91 -21.2 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.07 -27.07 15.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.078 1.351 . . . . 0.0 113.097 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -58.91 128.85 39.31 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.034 0.934 . . . . 0.0 109.804 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -56.95 -40.06 75.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.236 1.414 . . . . 0.0 113.389 -172.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.21 -1.91 1.5 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -173.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.58 42.96 10.72 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.372 0.987 . . . . 0.0 111.779 -168.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -75.52 -19.15 59.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.274 2.23 . . . . 0.0 113.487 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.15 17.22 54.14 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.012 1.291 . . . . 0.0 113.705 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.65 162.5 41.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.426 1.091 . . . . 0.0 112.315 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.54 139.85 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.308 1.843 . . . . 0.0 109.421 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -68.25 143.65 55.19 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.524 -1.36 . . . . 0.0 112.309 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.07 85.62 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.36 -0.837 . . . . 0.0 112.79 -176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.78 72.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.526 0.73 . . . . 0.0 112.829 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -74.09 -44.62 53.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.635 0.774 . . . . 0.0 111.809 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.88 -36.13 77.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.781 0.719 . . . . 0.0 111.149 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -63.08 -36.5 83.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.755 1.162 . . . . 0.0 112.032 169.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.4 -64.08 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.917 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.4 m -57.52 -40.42 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.863 1.665 . . . . 0.0 112.722 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.0 mmt -75.91 -10.23 59.26 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -122.32 -4.6 8.88 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -99.95 -26.15 14.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.847 1.659 . . . . 0.0 113.507 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.9 mt -134.48 152.6 51.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.099 1.36 . . . . 0.0 111.14 -168.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.26 -142.59 36.06 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 114.53 0.572 . . . . 0.0 114.53 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -81.04 8.41 8.59 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 42.64 104.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 129.638 3.175 . . . . 0.0 114.891 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.9 144.35 57.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.644 0.777 . . . . 0.0 110.808 170.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.7 159.29 30.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.097 0.559 . . . . 0.0 109.963 171.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.74 -31.71 64.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -83.99 -26.83 28.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.817 0.847 . . . . 0.0 112.952 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -77.82 -40.5 40.24 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.922 1.689 . . . . 0.0 111.537 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.19 -32.52 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.88 0.872 . . . . 0.0 110.992 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.31 -38.4 81.56 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 111.719 170.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.24 -38.25 76.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.652 0.66 . . . . 0.0 110.852 169.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.17 -56.01 22.99 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.198 170.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.57 -40.02 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 121.012 1.733 . . . . 0.0 111.225 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -52.8 -35.02 56.21 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.904 1.681 . . . . 0.0 113.758 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -109.88 -15.92 13.98 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.82 -33.58 15.63 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.343 1.857 . . . . 0.0 113.02 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -75.38 66.01 1.75 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.056 1.743 . . . . 0.0 111.388 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.78 -27.57 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.94 1.696 . . . . 0.0 111.818 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -75.17 -20.13 59.5 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.01 0.924 . . . . 0.0 113.463 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.75 12.52 70.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.15 1.357 . . . . 0.0 114.848 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -121.3 28.33 7.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.695 1.998 . . . . 0.0 112.81 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.92 23.87 77.39 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 120.956 -1.09 . . . . 0.0 113.701 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -126.82 89.68 3.03 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.935 1.694 . . . . 0.0 109.372 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 t -66.43 124.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.242 0.617 . . . . 0.0 110.421 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.55 94.41 8.18 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.992 0.901 . . . . 0.0 110.863 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.29 -28.57 68.8 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.798 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.52 -27.51 67.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.508 1.049 . . . . 0.0 112.779 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -88.8 -39.6 13.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.686 1.194 . . . . 0.0 111.671 168.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.72 -43.43 90.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.35 1.06 . . . . 0.0 112.569 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.6 p -56.51 -39.19 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.43 1.092 . . . . 0.0 112.472 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.87 -49.34 59.09 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.237 0.615 . . . . 0.0 110.654 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.92 -43.27 86.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.286 0.634 . . . . 0.0 112.308 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.0 ttp -67.91 -32.0 72.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.621 1.568 . . . . 0.0 112.961 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.6 p -93.57 -28.08 16.24 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.15 151.9 46.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 127.752 2.421 . . . . 0.0 114.39 169.163 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -66.03 118.0 5.14 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.31 2.674 . . . . 0.0 111.243 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 69.3 16.99 71.84 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.518 0.967 . . . . 0.0 115.518 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 68.2 m -57.41 116.02 3.08 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.264 1.532 . . . . 0.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 13.9 ttmm 49.4 38.49 14.2 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.261 1.824 . . . . 0.0 113.867 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -48.28 -39.69 22.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.773 1.629 . . . . 0.0 114.074 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 65.3 pttt -58.16 -31.35 67.16 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -92.91 -41.85 9.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.585 1.154 . . . . 0.0 112.132 171.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.79 -47.86 73.44 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.15 1.38 . . . . 0.0 111.809 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.38 -28.76 68.2 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.7 m -95.81 -30.07 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.229 1.012 . . . . 0.0 112.024 -173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 60.6 m -59.89 -40.69 89.57 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.351 1.06 . . . . 0.0 110.673 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.95 77.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.725 -0.609 . . . . 0.0 110.858 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.83 -37.66 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 120.995 -1.066 . . . . 0.0 112.197 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.23 -45.18 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.297 1.039 . . . . 0.0 110.758 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.46 -41.0 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.443 1.097 . . . . 0.0 111.072 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.94 -48.69 77.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.608 1.163 . . . . 0.0 111.68 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.23 -45.73 79.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.525 1.13 . . . . 0.0 111.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.17 82.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 45.4 t80 -67.42 -49.78 62.29 Favored 'General case' 0 C--O 1.23 0.071 0 O-C-N 121.41 -0.806 . . . . 0.0 111.926 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -65.82 -26.79 67.83 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.545 -0.722 . . . . 0.0 112.429 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -63.08 -43.05 99.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.982 0.913 . . . . 0.0 110.927 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.55 -39.51 91.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.335 0.654 . . . . 0.0 112.478 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.24 -40.63 86.54 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.103 -0.998 . . . . 0.0 112.193 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.88 -45.13 78.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.862 0.865 . . . . 0.0 111.822 172.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -54.19 -42.32 69.57 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.994 1.718 . . . . 0.0 112.516 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.0 -24.16 64.24 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.989 0.916 . . . . 0.0 113.434 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -93.96 -37.7 11.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.211 1.404 . . . . 0.0 113.606 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 27.4 m -86.57 -3.51 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -71.2 139.63 50.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.979 -1.076 . . . . 0.0 110.542 168.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.586 1.555 . . . . 0.0 112.335 -173.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.571 0.224 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.31 127.88 33.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.813 1.245 . . . . 0.0 111.511 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -154.8 169.54 23.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.128 0.971 . . . . 0.0 113.299 -169.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.1 mt -120.11 150.93 39.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.46 1.904 . . . . 0.0 112.27 171.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -80.22 155.54 27.31 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.832 1.253 . . . . 0.0 109.55 168.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -55.38 -32.96 63.03 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.878 -1.139 . . . . 0.0 113.822 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -68.07 -42.46 80.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.162 0.985 . . . . 0.0 112.202 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.67 -41.96 95.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.661 0.784 . . . . 0.0 110.83 173.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.39 -44.68 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.222 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.55 74.69 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.42 1.009 . . . . 0.0 112.875 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.55 -44.79 81.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.793 -1.192 . . . . 0.0 111.709 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -68.74 -33.91 74.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.702 0.801 . . . . 0.0 112.218 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.91 -52.71 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.221 1.808 . . . . 0.0 111.048 173.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.01 -50.44 68.51 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.058 0.543 . . . . 0.0 111.761 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.93 74.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -73.28 -48.11 37.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.843 0.857 . . . . 0.0 111.637 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -59.98 -27.05 66.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.287 1.035 . . . . 0.0 112.405 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.91 -21.96 33.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.298 1.439 . . . . 0.0 114.146 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -120.15 4.04 10.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.864 1.666 . . . . 0.0 113.092 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -74.22 67.42 1.37 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.645 1.578 . . . . 0.0 110.823 172.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -66.27 -18.42 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.313 1.445 . . . . 0.0 114.46 -174.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -84.88 -15.01 46.03 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.599 1.159 . . . . 0.0 113.507 171.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 31.99 82.54 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.357 0.98 . . . . 0.0 113.491 -174.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -118.28 5.81 11.89 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.766 1.626 . . . . 0.0 114.036 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 24.53 61.62 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.806 1.193 . . . . 0.0 114.321 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -141.99 158.88 43.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.7 1.2 . . . . 0.0 113.127 -174.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -133.42 168.8 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.28 1.832 . . . . 0.0 110.817 174.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -80.94 158.57 25.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.121 0.963 . . . . 0.0 111.887 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 p -59.7 -30.47 68.82 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.584 0.754 . . . . 0.0 112.437 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.01 -40.03 68.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.786 0.834 . . . . 0.0 112.519 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.63 -15.16 61.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.01 -47.33 71.62 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.908 1.231 . . . . 0.0 112.149 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.4 76.76 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 118.826 0.739 . . . . 0.0 113.48 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -66.1 -41.08 91.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.848 1.324 . . . . 0.0 111.313 172.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.68 -41.47 92.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.347 1.059 . . . . 0.0 110.977 174.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.7 mtp -62.09 -42.12 98.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.994 -1.066 . . . . 0.0 112.265 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -67.48 -31.0 70.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.049 0.94 . . . . 0.0 112.701 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.5 t -62.8 -33.06 74.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.516 0.726 . . . . 0.0 111.974 169.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.4 mt -82.47 5.87 19.21 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.051 1.74 . . . . 0.0 114.145 170.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.23 -4.43 67.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.482 1.515 . . . . 0.0 115.788 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.29 115.86 23.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.922 1.361 . . . . 0.0 108.923 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -103.65 86.51 1.19 Allowed Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 121.491 -0.756 . . . . 0.0 110.971 176.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.1 153.39 57.27 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.761 2.307 . . . . 0.0 111.057 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -83.99 161.21 20.83 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.196 -0.94 . . . . 0.0 111.637 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.88 -36.35 83.03 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.828 -1.795 . . . . 0.0 113.187 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.59 63.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -87.3 -36.48 17.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.225 1.81 . . . . 0.0 111.551 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.3 mt -58.59 -45.39 89.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.969 0.908 . . . . 0.0 110.905 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -61.32 -36.46 80.19 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.09 -28.05 68.53 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.1 mtm -85.03 -42.57 14.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 112.419 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.27 -28.46 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -59.71 -19.69 51.55 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 121.02 1.736 . . . . 0.0 113.775 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.5 -28.62 59.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.397 1.479 . . . . 0.0 113.513 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 m -105.37 -37.53 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.832 1.653 . . . . 0.0 113.815 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -89.37 30.91 0.94 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.233 1.813 . . . . 0.0 112.243 173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.02 67.96 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.995 -1.066 . . . . 0.0 113.239 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -84.97 -7.85 58.98 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.213 1.405 . . . . 0.0 113.698 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.7 11.5 73.19 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.325 1.441 . . . . 0.0 116.007 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -76.97 -7.12 55.03 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.896 1.848 . . . . 0.0 114.961 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.71 13.33 80.52 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 120.879 -1.138 . . . . 0.0 115.635 171.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -136.69 158.74 43.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.092 1.357 . . . . 0.0 113.195 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.4 mt -139.45 138.45 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 0.0 108.963 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.7 159.58 17.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.734 0.814 . . . . 0.0 112.074 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -46.38 -56.98 9.46 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.93 -21.11 21.4 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.857 1.705 . . . . 0.0 113.074 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.44 -42.62 71.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.53 0.605 . . . . 0.0 111.017 173.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.59 -40.06 86.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.337 -0.852 . . . . 0.0 112.442 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -64.26 -19.17 65.21 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -37.45 84.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.909 0.777 . . . . 0.0 112.492 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -84.18 -33.46 24.19 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.763 -0.586 . . . . 0.0 112.144 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.5 mmm -63.54 -38.45 91.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.485 0.584 . . . . 0.0 111.624 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.65 67.77 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -81.52 -40.04 23.79 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.411 1.084 . . . . 0.0 113.324 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -63.56 -28.99 70.32 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.134 1.374 . . . . 0.0 113.221 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.3 mmm -80.34 -103.26 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.85 1.66 . . . . 0.0 112.116 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt 55.19 -171.76 0.06 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.434 1.894 . . . . 0.0 113.266 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -73.54 158.24 35.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.274 -0.891 . . . . 0.0 111.447 169.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.4 p -135.77 141.14 44.75 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.487 1.115 . . . . 0.0 111.994 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -81.97 126.1 31.54 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.143 0.977 . . . . 0.0 110.0 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.2 t -69.52 126.64 30.35 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -169.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -59.97 -45.62 92.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.812 1.245 . . . . 0.0 112.416 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.84 -33.81 76.42 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.638 -0.664 . . . . 0.0 112.19 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -68.99 -44.82 72.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.815 -0.553 . . . . 0.0 111.569 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.6 -46.22 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.883 0.873 . . . . 0.0 110.02 174.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -48.93 79.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 111.003 178.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.52 -44.81 93.19 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.558 -0.713 . . . . 0.0 112.472 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.73 80.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.701 1.2 . . . . 0.0 112.892 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.66 -43.53 75.99 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.282 -0.887 . . . . 0.0 112.014 172.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -63.14 -23.17 67.31 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.438 -0.789 . . . . 0.0 112.951 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -62.73 -38.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.952 1.301 . . . . 0.0 111.345 167.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.07 -17.98 33.64 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.264 1.426 . . . . 0.0 114.521 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.79 133.43 54.74 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.35 -0.843 . . . . 0.0 109.244 169.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -68.18 -27.68 66.61 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -173.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -149.9 10.01 0.7 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.7 59.28 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 120.842 -1.161 . . . . 0.0 113.598 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -67.34 -18.93 65.36 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.817 2.047 . . . . 0.0 113.597 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 21.74 41.95 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.506 1.527 . . . . 0.0 113.144 -169.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.86 161.64 40.56 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.388 1.094 . . . . 0.0 112.784 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -128.34 139.43 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.747 1.619 . . . . 0.0 109.461 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -66.32 141.76 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.496 -1.377 . . . . 0.0 111.8 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.1 93.2 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.099 -1.001 . . . . 0.0 112.665 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.04 73.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.395 0.678 . . . . 0.0 112.691 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -73.91 -45.49 50.32 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.64 0.776 . . . . 0.0 111.902 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.97 -34.14 75.99 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.16 0.891 . . . . 0.0 111.268 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 -61.91 -45.13 95.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.677 1.126 . . . . 0.0 110.761 168.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -57.55 -57.88 10.75 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.941 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.29 -40.91 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 120.586 1.539 . . . . 0.0 111.715 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.6 mmt -75.59 -14.83 60.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 p -116.11 4.83 13.7 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -105.72 -23.7 12.68 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.734 1.214 . . . . 0.0 113.055 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.89 164.14 27.94 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.972 1.309 . . . . 0.0 111.397 -167.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.39 50.72 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 121.914 0.73 . . . . 0.0 113.508 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -69.15 -12.15 61.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.846 1.658 . . . . 0.0 114.443 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.34 135.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.948 2.499 . . . . 0.0 113.102 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 mt -92.42 151.78 20.06 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.217 1.007 . . . . 0.0 110.033 167.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -67.91 160.59 28.21 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.206 1.002 . . . . 0.0 110.685 170.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -56.09 -44.9 79.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.572 1.149 . . . . 0.0 113.934 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.3 -33.05 64.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.269 -0.894 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.457 1.503 . . . . 0.0 112.297 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.94 -31.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.927 0.891 . . . . 0.0 112.027 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.03 -36.08 77.36 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.941 -1.1 . . . . 0.0 111.762 170.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.08 -29.55 68.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.943 0.897 . . . . 0.0 112.087 171.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.1 ttm -66.46 -55.77 14.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.71 0.686 . . . . 0.0 110.047 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.49 -36.01 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.945 0.793 . . . . 0.0 111.784 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -53.51 -41.51 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.86 1.264 . . . . 0.0 113.419 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -42.1 11.28 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 111.72 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.86 -33.65 76.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.432 1.893 . . . . 0.0 112.447 -170.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -102.61 111.22 23.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.589 1.155 . . . . 0.0 110.303 168.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.46 -28.61 22.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 123.89 0.876 . . . . 0.0 112.377 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -90.1 -29.65 18.19 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.411 1.084 . . . . 0.0 113.641 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.01 11.07 83.08 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 125.527 1.537 . . . . 0.0 114.901 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -81.12 -3.34 51.73 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.289 1.436 . . . . 0.0 114.515 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.58 27.2 9.97 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.123 1.821 . . . . 0.0 113.915 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -129.57 101.78 6.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.393 1.477 . . . . 0.0 110.86 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.7 t -69.36 130.49 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.516 0.674 . . . . 0.0 110.663 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.96 80.84 2.53 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.264 1.03 . . . . 0.0 111.752 173.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -57.91 -28.92 64.67 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.448 -173.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.73 -33.13 74.5 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.294 1.037 . . . . 0.0 112.654 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.28 -38.24 27.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.377 0.671 . . . . 0.0 111.193 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.49 -39.54 92.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.889 0.876 . . . . 0.0 113.12 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.39 -45.88 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.836 0.744 . . . . 0.0 111.411 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -66.19 -37.15 84.91 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.618 0.767 . . . . 0.0 111.704 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.09 -46.53 70.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.675 0.79 . . . . 0.0 112.754 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.47 -38.22 90.26 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.129 0.877 . . . . 0.0 111.926 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.1 p -82.8 3.31 29.98 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.92 149.09 37.5 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.402 1.881 . . . . 0.0 114.155 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.403 0 CA-C-O 118.712 -1.049 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.8 170.67 19.49 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.236 3.29 . . . . 0.0 112.655 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.11 80.76 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.583 1.087 . . . . 0.0 113.754 -174.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 30.1 t -154.46 161.77 41.51 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.939 2.096 . . . . 0.0 110.063 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 19.8 ttmm 49.55 53.7 12.26 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.611 1.565 . . . . 0.0 112.33 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -53.43 -32.35 49.4 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.849 1.26 . . . . 0.0 114.318 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.88 -29.54 69.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.61 1.164 . . . . 0.0 113.434 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -88.6 -41.6 12.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.279 1.031 . . . . 0.0 112.46 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.39 -50.06 72.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.877 0.871 . . . . 0.0 111.793 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -64.24 -24.8 67.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.611 1.164 . . . . 0.0 114.1 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.2 m -98.97 -33.0 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.431 1.092 . . . . 0.0 112.375 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -54.98 -41.99 71.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.651 1.181 . . . . 0.0 110.6 171.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.44 76.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.634 -0.666 . . . . 0.0 111.779 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.29 -37.01 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.255 0.934 . . . . 0.0 111.916 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -59.58 -41.67 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.772 1.229 . . . . 0.0 110.939 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.45 -37.88 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.399 1.08 . . . . 0.0 111.057 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.867 1.212 . . . . 0.0 111.665 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.09 -57.09 13.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.651 1.181 . . . . 0.0 110.965 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.95 72.54 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.841 0.856 . . . . 0.0 112.839 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -69.89 -51.45 33.06 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -66.62 -23.56 66.19 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.955 -1.09 . . . . 0.0 112.495 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.91 -48.2 75.0 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.486 1.114 . . . . 0.0 110.072 168.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.7 -30.82 71.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.226 1.41 . . . . 0.0 114.19 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.6 mt -56.27 -20.97 20.93 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.746 0.818 . . . . 0.0 113.047 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.41 -44.44 17.52 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.205 1.002 . . . . 0.0 111.786 168.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -63.41 -34.85 78.65 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.758 1.623 . . . . 0.0 113.589 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -13.43 29.9 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 14.0 mptt -71.03 -36.29 72.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 111.674 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 7.5 p -159.35 120.93 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.431 1.493 . . . . 0.0 110.551 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 60.8 pttt -136.38 136.83 39.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.863 1.665 . . . . 0.0 110.693 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.553 1.941 . . . . 0.0 111.326 -169.533 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.285 0.564 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -98.14 -4.82 34.86 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -62.5 146.58 51.28 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -171.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.38 145.33 27.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.449 1.1 . . . . 0.0 112.526 175.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.0 m -79.65 154.93 28.32 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 109.293 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -55.07 -33.31 62.64 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.992 -1.067 . . . . 0.0 113.708 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.89 -40.35 75.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.04 0.936 . . . . 0.0 112.575 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.11 -43.56 94.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.404 0.682 . . . . 0.0 110.644 172.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.46 -45.68 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.633 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.36 90.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.891 0.769 . . . . 0.0 112.666 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.25 -46.07 82.02 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.185 -0.947 . . . . 0.0 111.783 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.32 -33.91 77.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.463 0.705 . . . . 0.0 112.062 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -55.31 -53.33 57.51 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.09 1.756 . . . . 0.0 111.125 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -66.17 -49.61 66.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.677 0.791 . . . . 0.0 111.728 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.98 73.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -73.48 -48.39 33.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.89 0.768 . . . . 0.0 111.566 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.0 t -61.89 -28.76 69.74 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.269 1.028 . . . . 0.0 113.08 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.53 -19.77 6.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.572 1.549 . . . . 0.0 114.351 170.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -126.01 8.14 7.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.626 1.171 . . . . 0.0 113.462 178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -66.94 133.27 49.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.382 1.073 . . . . 0.0 111.001 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -58.87 -34.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -158.33 12.31 0.18 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 23.96 51.77 Favored Glycine 0 CA--C 1.54 1.646 0 O-C-N 120.809 -1.182 . . . . 0.0 112.32 -168.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.43 -9.16 59.55 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.876 1.67 . . . . 0.0 113.791 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.15 60.75 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.903 1.24 . . . . 0.0 113.48 -171.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -142.17 151.35 42.13 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.567 1.184 . . . . 0.0 113.48 -175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 pt -124.7 171.75 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 126.835 2.054 . . . . 0.0 110.89 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -86.08 159.72 19.48 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 122.329 1.061 . . . . 0.0 112.446 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -62.43 -21.57 65.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.532 1.133 . . . . 0.0 113.024 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.74 -43.55 46.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.352 1.061 . . . . 0.0 112.527 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.53 -13.18 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.85 -57.2 6.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.945 1.248 . . . . 0.0 111.728 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.68 -27.4 71.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.141 -0.974 . . . . 0.0 113.342 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.6 m -74.23 -35.18 63.85 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.15 0.98 . . . . 0.0 111.797 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -63.76 -41.41 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.532 0.733 . . . . 0.0 110.305 169.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.6 mtp -63.51 -41.85 98.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.145 -0.972 . . . . 0.0 112.292 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -61.07 -37.39 82.49 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.28 1.032 . . . . 0.0 112.648 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.49 -32.88 73.86 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.955 0.902 . . . . 0.0 112.372 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.7 mt -80.56 6.84 11.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.502 1.521 . . . . 0.0 114.298 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.85 16.96 66.6 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 0.0 115.615 172.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -132.73 125.45 30.23 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.902 1.351 . . . . 0.0 111.462 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.12 92.87 5.86 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.428 1.091 . . . . 0.0 111.862 -175.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.87 152.26 68.7 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.611 2.874 . . . . 0.0 112.421 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -69.9 159.65 33.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.773 0.829 . . . . 0.0 112.042 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -60.2 -31.7 70.39 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.181 -0.949 . . . . 0.0 112.483 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 -44.86 73.56 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.987 0.915 . . . . 0.0 112.219 174.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.83 -45.06 95.45 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.776 0.83 . . . . 0.0 111.957 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.93 -46.03 91.12 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.743 -0.598 . . . . 0.0 111.442 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.8 -41.66 91.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.516 0.726 . . . . 0.0 111.897 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.17 -44.96 95.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.826 0.85 . . . . 0.0 112.63 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -67.84 -40.19 83.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.644 -0.66 . . . . 0.0 112.124 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.1 -29.04 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.8 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.78 -28.9 70.31 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.305 1.411 . . . . 0.0 112.902 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -83.34 -44.33 14.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.495 0.718 . . . . 0.0 112.635 171.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -73.41 -40.06 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.568 1.147 . . . . 0.0 113.908 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -118.73 46.83 1.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.773 1.629 . . . . 0.0 112.712 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.67 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -87.31 -4.82 59.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.63 40.72 58.53 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.031 -1.043 . . . . 0.0 115.277 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.36 -23.59 54.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.144 1.378 . . . . 0.0 113.091 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.43 16.74 77.43 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.791 1.662 . . . . 0.0 114.625 -172.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.1 p -137.83 159.05 43.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.263 1.425 . . . . 0.0 113.563 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -141.07 137.32 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.982 2.113 . . . . 0.0 108.727 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.13 157.55 18.26 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.831 0.741 . . . . 0.0 111.64 172.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.78 -55.72 13.9 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -21.96 30.49 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 121.936 1.757 . . . . 0.0 113.453 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -72.97 -40.53 65.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.815 0.734 . . . . 0.0 111.235 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.87 -39.99 91.28 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.494 -0.754 . . . . 0.0 112.182 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -63.26 -19.22 64.37 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.312 -0.867 . . . . 0.0 113.164 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -35.66 81.12 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.295 0.952 . . . . 0.0 112.8 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.73 -36.18 23.87 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.85 -0.531 . . . . 0.0 111.353 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.11 -24.86 66.76 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.181 0.901 . . . . 0.0 113.124 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.07 88.78 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.765 0.826 . . . . 0.0 112.818 169.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -47.05 9.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.485 1.514 . . . . 0.0 112.848 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -84.9 13.9 5.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.595 2.358 . . . . 0.0 113.611 -174.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ttm -59.26 143.82 48.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.584 1.154 . . . . 0.0 113.43 -169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -71.0 -3.93 22.16 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.96 121.68 14.15 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.958 0.903 . . . . 0.0 111.414 170.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.6 p -149.11 154.04 38.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.332 1.453 . . . . 0.0 111.822 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.08 145.74 55.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.75 0.82 . . . . 0.0 111.491 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.4 t -63.95 115.87 5.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.593 0.711 . . . . 0.0 112.708 -170.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.83 -42.59 90.38 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.413 1.085 . . . . 0.0 112.835 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -65.16 -35.6 81.6 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.961 0.905 . . . . 0.0 112.009 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.85 -43.11 80.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.601 -0.687 . . . . 0.0 111.718 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.71 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 123.182 0.593 . . . . 0.0 110.107 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -59.25 -44.65 92.38 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.154 0.888 . . . . 0.0 112.484 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.53 -46.55 85.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.093 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.15 -21.34 65.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.582 1.553 . . . . 0.0 113.944 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.34 -42.38 20.63 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.253 -0.905 . . . . 0.0 112.541 169.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ttp-105 -62.12 -25.97 68.03 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.109 -0.994 . . . . 0.0 113.446 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.07 -19.46 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CE1' HG22 ' A' ' 108' ' ' VAL . 14.9 m-85 -95.44 -22.42 17.71 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.401 1.08 . . . . 0.0 112.805 173.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.06 115.68 3.94 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.393 1.077 . . . . 0.0 110.413 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -73.73 -16.79 61.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -125.99 -15.74 5.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.98 18.92 79.21 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.074 0.845 . . . . 0.0 112.822 -168.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -80.88 -2.38 47.23 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.902 1.681 . . . . 0.0 114.39 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.84 23.24 56.25 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.63 1.11 . . . . 0.0 113.571 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.36 164.38 35.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.533 1.133 . . . . 0.0 111.974 -178.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -129.21 144.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.025 1.73 . . . . 0.0 108.942 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.7 t -65.42 144.42 57.07 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.211 -1.556 . . . . 0.0 111.338 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.29 69.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.47 79.67 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.271 0.628 . . . . 0.0 112.164 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -72.06 -43.73 64.43 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.457 0.703 . . . . 0.0 112.383 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.35 -40.2 77.65 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.936 0.789 . . . . 0.0 110.9 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -58.37 -45.79 87.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.051 0.841 . . . . 0.0 111.345 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -54.99 -59.21 5.06 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.234 0.614 . . . . 0.0 111.364 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.425 HG22 ' CE1' ' A' ' 92' ' ' PHE . 11.3 p -65.04 -34.87 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.998 0.817 . . . . 0.0 112.264 -175.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -71.45 -15.53 62.34 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -116.47 8.08 13.95 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 169.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -108.85 -44.68 3.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.967 1.307 . . . . 0.0 111.718 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.13 146.82 46.35 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.091 1.357 . . . . 0.0 111.865 -168.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.88 -148.84 43.73 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.149 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -69.54 -6.36 30.34 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 54.63 108.52 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.266 2.626 . . . . 0.0 114.358 -173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.12 149.43 46.45 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.782 -0.574 . . . . 0.0 110.539 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.76 161.78 25.33 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.974 . . . . 0.0 110.852 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -56.02 -45.76 79.02 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.63 -1.294 . . . . 0.0 114.143 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.41 -31.99 64.18 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.147 -0.97 . . . . 0.0 112.268 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.0 -40.31 71.9 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.801 1.64 . . . . 0.0 112.264 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 p -75.04 -30.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.168 0.987 . . . . 0.0 111.662 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -70.71 -35.94 72.98 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.855 -1.153 . . . . 0.0 112.181 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.32 -30.69 68.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.953 0.901 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 ttm -67.47 -55.83 12.02 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.458 0.703 . . . . 0.0 109.819 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -57.08 -37.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.271 0.941 . . . . 0.0 111.562 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -50.34 -38.97 44.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.74 1.216 . . . . 0.0 113.807 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -110.09 -20.48 12.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.275 1.43 . . . . 0.0 114.141 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.15 -38.67 51.36 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.918 1.687 . . . . 0.0 112.333 173.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.87 62.76 2.76 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 111.32 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 20.4 tt -62.24 -24.61 35.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 124.316 1.046 . . . . 0.0 112.81 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -73.93 -17.13 61.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.341 1.056 . . . . 0.0 113.633 171.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.71 78.6 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.899 1.238 . . . . 0.0 113.98 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -139.4 24.61 2.47 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.206 1.402 . . . . 0.0 113.299 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.78 78.7 Favored Glycine 0 CA--C 1.536 1.392 0 O-C-N 120.654 -1.279 . . . . 0.0 113.956 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -121.87 90.11 3.25 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.541 1.536 . . . . 0.0 109.199 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.53 120.65 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -92.15 96.16 10.16 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.807 0.813 . . . . 0.0 110.502 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -64.51 -32.44 74.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.751 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -60.13 -39.15 85.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.576 1.535 . . . . 0.0 112.732 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -76.52 -37.97 55.88 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.197 0.999 . . . . 0.0 112.111 169.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -64.53 -39.03 93.01 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.3 t -56.44 -49.57 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.663 1.12 . . . . 0.0 108.592 170.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -63.92 -38.4 90.94 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.849 0.718 . . . . 0.0 110.983 -171.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.5 ttp -66.7 -45.71 77.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 112.846 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.0 mtm -64.42 -39.21 93.41 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.701 0.682 . . . . 0.0 112.617 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.8 p -77.7 -36.17 51.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.994 0.918 . . . . 0.0 113.021 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.32 162.27 10.18 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.762 1.225 . . . . 0.0 113.777 173.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 124.784 1.233 . . . . 0.0 111.613 169.858 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.53 0 CA-C-O 118.501 -1.166 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 165.25 9.67 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.88 3.053 . . . . 0.0 114.181 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 179.38 -136.65 2.88 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.467 1.032 . . . . 0.0 112.721 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.0 p -152.19 171.74 17.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.492 1.117 . . . . 0.0 112.788 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 17.1 tptm -47.53 -41.55 21.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.933 1.693 . . . . 0.0 112.929 172.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -60.79 -31.04 70.43 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.424 1.089 . . . . 0.0 113.261 -169.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -70.39 -36.98 74.43 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.15 0.886 . . . . 0.0 113.135 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -74.32 -43.44 56.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.141 0.882 . . . . 0.0 111.356 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.32 -42.76 70.52 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.923 1.289 . . . . 0.0 111.717 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.89 -28.47 68.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 10.4 m -99.79 -31.33 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.453 1.101 . . . . 0.0 111.953 -173.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -56.04 -39.54 72.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.779 1.231 . . . . 0.0 111.098 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.17 72.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.663 0.785 . . . . 0.0 111.052 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 92.7 mt -65.53 -39.37 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 120.6 -1.313 . . . . 0.0 111.941 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.9 mt -57.46 -41.9 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.414 1.085 . . . . 0.0 110.678 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.3 -41.2 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 111.337 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -54.43 -47.21 73.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.506 1.048 . . . . 0.0 111.586 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -72.21 -42.9 65.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.018 0.927 . . . . 0.0 111.86 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.77 85.17 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 173.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.78 -50.93 67.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.076 0.55 . . . . 0.0 112.121 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 33.1 mtm-85 -67.02 -28.0 67.87 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.281 -0.887 . . . . 0.0 112.615 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.65 -40.71 97.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.866 0.757 . . . . 0.0 110.82 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.94 -36.06 82.32 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.049 0.84 . . . . 0.0 112.937 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.703 -1.248 . . . . 0.0 112.021 171.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.0 -35.42 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.896 -1.128 . . . . 0.0 112.009 170.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.89 -35.57 80.32 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.961 0.905 . . . . 0.0 112.614 172.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.12 -45.91 89.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.516 1.053 . . . . 0.0 111.369 169.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -82.81 5.91 20.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.227 1.811 . . . . 0.0 114.921 -172.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.14 141.72 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.162 0.985 . . . . 0.0 111.981 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 65.5 mttp -79.21 58.27 2.49 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.391 1.476 . . . . 0.0 112.696 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.633 1.573 . . . . 0.0 111.759 174.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -66.72 22.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 127.694 2.398 . . . . 0.0 117.041 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -83.56 141.48 31.55 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.414 -1.429 . . . . 0.0 112.581 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.17 151.8 24.28 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.283 1.433 . . . . 0.0 111.293 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -72.14 161.62 30.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.344 0.657 . . . . 0.0 111.108 169.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -60.96 -33.8 73.77 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.798 -1.189 . . . . 0.0 112.268 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.88 -44.93 75.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.941 0.896 . . . . 0.0 112.065 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.13 -45.98 91.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.323 0.649 . . . . 0.0 111.24 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.39 -46.35 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.092 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.12 76.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.661 1.118 . . . . 0.0 112.835 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.97 -45.2 86.69 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 111.568 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.04 -37.7 88.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.825 0.85 . . . . 0.0 112.441 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.23 -50.43 72.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.762 1.625 . . . . 0.0 111.171 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -65.02 -51.9 59.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.32 0.648 . . . . 0.0 111.836 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.29 72.43 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -72.65 -50.62 23.87 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.982 0.913 . . . . 0.0 111.443 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 t -61.49 -24.6 66.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.045 0.938 . . . . 0.0 112.643 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -56.62 -21.83 29.78 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.398 1.479 . . . . 0.0 113.927 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -121.62 4.52 10.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.824 1.65 . . . . 0.0 113.312 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.8 109.55 3.91 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.366 -0.834 . . . . 0.0 110.386 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -73.21 -19.58 61.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.99 1.716 . . . . 0.0 115.067 -175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.45 -17.8 8.66 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.43 85.45 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.561 1.076 . . . . 0.0 113.29 -169.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -89.21 -0.17 57.24 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.666 1.586 . . . . 0.0 113.912 -175.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.86 30.22 32.64 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.731 1.158 . . . . 0.0 113.855 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -140.55 156.43 46.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.865 1.266 . . . . 0.0 113.319 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.7 pt -131.33 170.96 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 126.938 2.095 . . . . 0.0 110.147 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -88.89 162.55 16.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.386 1.088 . . . . 0.0 113.385 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.2 p -59.57 -18.94 45.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.855 1.262 . . . . 0.0 112.846 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -43.21 57.99 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.355 1.062 . . . . 0.0 112.363 170.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.17 -17.25 57.06 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tt -46.25 -57.99 4.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.132 1.373 . . . . 0.0 111.912 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -29.11 74.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.511 -0.743 . . . . 0.0 113.245 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -69.34 -40.36 77.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.305 1.052 . . . . 0.0 111.551 173.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.81 -41.71 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.604 1.161 . . . . 0.0 110.579 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.0 mtp -62.09 -42.99 99.77 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.932 . . . . 0.0 112.532 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -64.24 -33.66 76.32 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.521 -0.737 . . . . 0.0 112.408 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 t -64.14 -34.97 79.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 0.0 112.159 169.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 26.43 0.23 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.331 1.852 . . . . 0.0 114.27 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.88 70.54 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 169.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -138.2 127.0 23.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.708 1.203 . . . . 0.0 111.158 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.21 95.56 2.94 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.878 0.871 . . . . 0.0 110.818 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -64.41 150.2 88.68 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.533 2.822 . . . . 0.0 112.622 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -81.95 142.52 32.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.839 0.855 . . . . 0.0 109.967 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.32 -28.55 69.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.528 -1.357 . . . . 0.0 113.568 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -31.34 72.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.201 1.0 . . . . 0.0 113.083 172.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.81 -49.89 48.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.679 -0.638 . . . . 0.0 109.966 169.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -61.71 -39.06 90.18 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -61.32 -40.27 93.6 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.665 0.666 . . . . 0.0 111.64 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -69.2 -43.37 74.29 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.641 -0.662 . . . . 0.0 111.767 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.8 mtp -60.54 -39.85 89.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.544 1.138 . . . . 0.0 111.934 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.64 -32.45 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.939 0.896 . . . . 0.0 111.583 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -63.53 -30.56 71.66 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.923 1.692 . . . . 0.0 112.4 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.99 -51.65 15.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.909 0.777 . . . . 0.0 112.464 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.7 t -74.12 -45.42 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.644 1.177 . . . . 0.0 113.246 -171.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -102.33 56.08 0.79 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.935 1.694 . . . . 0.0 112.32 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -23.35 63.98 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -83.11 -14.6 53.33 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.964 1.306 . . . . 0.0 114.168 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.39 27.94 73.51 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.256 0.932 . . . . 0.0 114.171 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -18.28 55.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.531 1.533 . . . . 0.0 114.489 -173.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.58 5.67 89.27 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.391 1.472 . . . . 0.0 116.251 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -126.94 159.19 34.75 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.998 1.899 . . . . 0.0 114.821 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.81 134.4 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 128.026 2.53 . . . . 0.0 108.84 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.65 157.11 18.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.276 0.631 . . . . 0.0 111.394 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -45.44 -53.07 19.85 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.72 -27.13 27.04 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.811 1.674 . . . . 0.0 113.353 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.0 -29.18 61.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.173 -0.954 . . . . 0.0 111.899 174.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -69.43 -42.69 74.65 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.264 -0.898 . . . . 0.0 110.911 168.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.31 -26.45 68.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.87 -1.144 . . . . 0.0 112.284 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -35.81 70.16 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.115 1.366 . . . . 0.0 113.427 171.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.2 ptp -84.52 -40.39 17.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.043 1.292 . . . . 0.0 111.627 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.4 mmm -65.83 -39.77 91.16 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.331 0.514 . . . . 0.0 112.287 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.39 70.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.896 0.878 . . . . 0.0 112.958 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -81.53 -43.39 18.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.827 1.651 . . . . 0.0 111.971 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -65.42 -39.44 92.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.151 1.381 . . . . 0.0 112.715 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.3 mmm -61.0 -16.86 48.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.337 1.055 . . . . 0.0 113.286 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -118.34 23.06 11.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.651 1.98 . . . . 0.0 112.942 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -69.07 -12.14 61.42 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.8 m -106.17 136.39 45.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.88 2.072 . . . . 0.0 111.229 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.64 150.93 34.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.442 1.497 . . . . 0.0 113.859 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.3 t -158.26 156.55 30.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 110.044 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -47.19 83.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.635 1.107 . . . . 0.0 113.744 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -69.61 -29.58 67.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.441 -0.787 . . . . 0.0 112.198 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.06 -36.86 61.77 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.553 0.741 . . . . 0.0 112.134 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.66 -47.9 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.19 0.996 . . . . 0.0 109.587 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -56.42 -48.37 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.422 0.689 . . . . 0.0 112.492 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.7 -40.96 84.3 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.21 86.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.01 1.324 . . . . 0.0 112.751 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.34 -43.61 94.05 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.134 -0.978 . . . . 0.0 111.468 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -63.13 -22.44 66.86 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.2 -31.86 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.988 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 108' ' ' VAL . 14.8 m-85 -93.0 -16.58 24.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 175.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -57.29 129.22 40.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.548 1.139 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.75 -40.56 88.55 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.702 1.601 . . . . 0.0 113.519 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.97 3.81 0.46 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.83 8.42 45.47 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.27 1.414 . . . . 0.0 115.243 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -69.56 -3.29 14.19 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 119.441 1.621 . . . . 0.0 115.101 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.25 25.4 51.72 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.757 1.162 . . . . 0.0 113.023 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.24 166.32 28.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.237 1.415 . . . . 0.0 111.259 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.17 136.23 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.889 1.675 . . . . 0.0 109.037 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 m -67.08 142.53 57.1 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.161 -1.587 . . . . 0.0 111.825 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.18 83.53 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.435 -0.791 . . . . 0.0 113.06 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.47 74.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 112.742 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -74.34 -43.5 56.37 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.647 0.779 . . . . 0.0 111.843 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.91 0.777 . . . . 0.0 110.756 174.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -59.86 -40.99 90.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.899 0.772 . . . . 0.0 112.038 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.02 -63.41 1.22 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.897 0.771 . . . . 0.0 110.476 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' A' ' 92' ' ' PHE . 14.8 p -64.51 -37.87 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.089 0.859 . . . . 0.0 112.785 -171.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.3 mmt -69.11 -14.86 63.24 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -118.21 1.22 11.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.07 -41.35 5.6 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.323 1.849 . . . . 0.0 112.099 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.6 mt -125.5 144.52 50.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.339 1.456 . . . . 0.0 111.806 -168.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.17 -151.24 45.12 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 121.399 0.444 . . . . 0.0 114.165 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.62 52.13 0.97 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.066 1.746 . . . . 0.0 113.281 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -14.02 113.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 130.989 3.716 . . . . 0.0 114.998 -174.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.63 150.6 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.021 0.928 . . . . 0.0 112.144 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -70.13 159.21 34.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.879 0.871 . . . . 0.0 110.195 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.266 1.027 . . . . 0.0 113.694 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.84 -23.33 58.43 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.356 -0.84 . . . . 0.0 112.973 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -81.81 -41.1 21.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.615 1.566 . . . . 0.0 111.672 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.08 -33.42 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.305 0.642 . . . . 0.0 111.034 171.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.4 -40.71 93.78 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.36 -0.837 . . . . 0.0 111.789 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.76 -40.23 83.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.508 0.595 . . . . 0.0 111.229 171.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttm -58.99 -53.97 52.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.298 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.2 mm -60.04 -37.4 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 121.247 1.839 . . . . 0.0 111.322 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.16 -31.68 63.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.849 1.26 . . . . 0.0 113.969 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.41 -17.65 13.42 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.191 1.396 . . . . 0.0 114.553 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.6 -33.43 18.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.878 2.071 . . . . 0.0 113.4 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -67.26 128.55 36.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.314 1.046 . . . . 0.0 111.679 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.22 -30.81 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.288 1.035 . . . . 0.0 113.698 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -148.83 -5.39 0.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.09 59.38 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.557 1.551 . . . . 0.0 115.047 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.01 -7.32 56.72 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 119.338 1.569 . . . . 0.0 114.337 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.92 19.62 12.68 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.202 1.382 . . . . 0.0 114.978 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.58 104.32 11.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.842 1.321 . . . . 0.0 110.963 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.66 124.47 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.834 -0.541 . . . . 0.0 109.736 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -96.01 102.53 14.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.076 0.941 . . . . 0.0 110.215 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -71.72 -22.04 61.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.018 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -66.97 -37.82 84.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.0 1.273 . . . . 0.0 112.303 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -71.16 -41.35 70.52 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 110.952 168.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.45 -43.5 80.96 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.77 -43.19 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.299 -0.876 . . . . 0.0 110.903 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.36 -35.25 79.88 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.052 0.541 . . . . 0.0 111.988 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.3 ttp -69.12 -46.74 66.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.778 1.231 . . . . 0.0 112.75 173.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.62 -39.37 91.41 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.476 -0.765 . . . . 0.0 112.432 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p -83.34 -0.4 49.59 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.56 163.99 10.27 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.553 1.141 . . . . 0.0 113.609 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.751 1.22 . . . . 0.0 111.584 173.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.6 14.02 1.94 Allowed 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 124.501 3.467 . . . . 0.0 114.978 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 119.33 -141.84 16.06 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.861 1.695 . . . . 0.0 112.888 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 99.3 p -69.23 170.86 9.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.743 1.217 . . . . 0.0 113.551 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -88.11 -107.4 0.07 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.42 1.088 . . . . 0.0 110.398 170.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -55.32 -40.95 71.77 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.757 1.623 . . . . 0.0 113.389 -168.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 90.3 mttt -47.73 -57.62 5.33 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.967 1.307 . . . . 0.0 112.199 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -85.91 -27.75 24.78 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -54.54 -43.58 72.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.672 1.123 . . . . 0.0 111.354 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.81 -22.26 63.32 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 2.8 m -104.02 -30.19 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.468 1.107 . . . . 0.0 112.952 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.9 m -56.3 -39.56 72.9 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.366 1.066 . . . . 0.0 109.875 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.15 88.95 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.382 0.673 . . . . 0.0 110.409 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.01 -37.84 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.007 -1.058 . . . . 0.0 112.266 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.17 -43.7 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 110.726 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.1 -39.09 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.516 1.126 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.77 -46.42 87.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.48 1.112 . . . . 0.0 111.571 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.51 -49.63 77.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 111.522 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.92 98.66 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.486 0.714 . . . . 0.0 112.156 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.7 t80 -66.7 -50.1 63.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.914 0.486 . . . . 0.0 112.149 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -66.88 -25.19 66.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -69.87 -46.2 66.02 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.121 0.873 . . . . 0.0 110.618 168.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.46 -31.02 72.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.578 1.151 . . . . 0.0 113.676 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.77 -28.04 54.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.849 1.26 . . . . 0.0 112.804 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 74.0 mt -76.9 -52.59 9.16 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.477 0.711 . . . . 0.0 110.198 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.54 -39.67 61.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.525 1.93 . . . . 0.0 113.781 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -1.96 14.5 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -122.13 -44.21 2.29 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.52 1.528 . . . . 0.0 113.175 170.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 16.5 m -144.84 139.88 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.639 1.575 . . . . 0.0 112.055 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -156.38 163.07 39.92 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.318 1.447 . . . . 0.0 112.266 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.562 1.545 . . . . 0.0 112.365 178.598 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.569 0.223 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -84.62 3.48 36.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.244 1.417 . . . . 0.0 114.391 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.66 142.86 57.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.354 1.062 . . . . 0.0 112.073 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.83 146.13 33.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.528 0.68 . . . . 0.0 112.307 173.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -72.99 154.87 40.34 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.779 1.231 . . . . 0.0 110.02 172.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -54.26 -34.42 60.77 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.946 -1.096 . . . . 0.0 113.954 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.6 -41.37 75.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.053 0.941 . . . . 0.0 112.45 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.17 -45.12 93.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.891 0.877 . . . . 0.0 110.684 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.11 -45.59 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 123.956 0.902 . . . . 0.0 110.764 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.03 -35.32 78.07 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.61 1.095 . . . . 0.0 113.086 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.52 -44.87 89.53 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.822 -1.174 . . . . 0.0 111.571 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -67.89 -32.47 72.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.664 0.786 . . . . 0.0 112.736 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.32 -47.58 85.41 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.413 1.485 . . . . 0.0 110.899 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.75 -33.51 76.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.18 63.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.861 0.755 . . . . 0.0 113.0 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -72.46 -45.57 58.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.389 -0.819 . . . . 0.0 112.911 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -62.49 -17.35 59.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.685 0.794 . . . . 0.0 113.119 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.67 -18.59 60.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.359 1.464 . . . . 0.0 113.9 172.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -129.24 3.57 5.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.657 1.583 . . . . 0.0 113.328 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -74.16 65.07 1.12 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.285 1.834 . . . . 0.0 110.238 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -57.26 -19.37 21.24 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -166.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 p30 -118.72 0.18 11.41 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.878 1.271 . . . . 0.0 113.537 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 7.73 82.06 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.807 1.194 . . . . 0.0 115.812 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -77.22 -4.38 44.48 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.827 1.813 . . . . 0.0 114.036 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.84 28.81 20.15 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.436 1.017 . . . . 0.0 113.521 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -143.09 150.92 40.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.615 1.166 . . . . 0.0 113.142 -171.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.8 pt -124.29 168.35 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.361 1.865 . . . . 0.0 110.536 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -84.38 160.2 20.69 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.158 0.98 . . . . 0.0 112.953 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.59 -20.15 63.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 113.212 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -74.88 -46.77 33.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.154 0.888 . . . . 0.0 111.371 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.4 -22.3 62.76 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.589 1.156 . . . . 0.0 113.23 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.95 -61.36 1.31 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.511 1.524 . . . . 0.0 112.24 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.1 -23.61 71.42 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.506 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -70.23 -40.29 74.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.519 1.16 . . . . 0.0 111.102 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.295 1.8 m -72.23 -31.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 121.455 -0.778 . . . . 0.0 111.984 173.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtp -64.56 -45.52 86.72 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.508 1.049 . . . . 0.0 111.934 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -64.21 -27.57 69.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.581 0.752 . . . . 0.0 112.65 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -67.7 -25.17 65.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.912 0.885 . . . . 0.0 113.255 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -85.87 1.32 50.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.588 1.555 . . . . 0.0 113.049 169.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.9 -3.44 79.86 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.294 1.426 . . . . 0.0 115.19 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.01 120.49 26.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.062 1.431 . . . . 0.0 109.738 172.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -107.53 84.1 1.77 Allowed Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.531 0.732 . . . . 0.0 110.832 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -66.87 151.56 82.07 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.147 2.565 . . . . 0.0 111.114 174.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -72.64 159.17 34.29 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.103 -0.998 . . . . 0.0 111.109 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -68.46 -27.16 65.91 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.277 -1.514 . . . . 0.0 112.671 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.28 -38.53 68.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.639 0.776 . . . . 0.0 112.3 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.24 -40.99 94.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.067 1.347 . . . . 0.0 111.825 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 mt -60.61 -48.17 82.96 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.002 0.921 . . . . 0.0 111.373 170.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.27 -39.31 78.91 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.202 0.601 . . . . 0.0 112.052 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.99 -44.61 84.34 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.773 0.829 . . . . 0.0 112.621 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.46 -35.9 82.3 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.153 -0.967 . . . . 0.0 112.577 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.0 mt -71.37 -31.21 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 121.208 -0.933 . . . . 0.0 111.483 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -64.68 -28.26 69.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.158 1.345 . . . . 0.0 112.639 172.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -75.8 -50.11 16.15 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.82 0.736 . . . . 0.0 112.165 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.49 -49.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -173.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -99.65 48.47 0.94 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 0.0 112.885 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.37 65.04 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.87 -3.11 58.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.819 1.248 . . . . 0.0 114.348 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 41.29 61.59 Favored Glycine 0 CA--C 1.538 1.472 0 O-C-N 121.049 -1.032 . . . . 0.0 115.057 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -76.29 -24.41 54.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.361 1.465 . . . . 0.0 113.165 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.81 14.63 78.2 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.621 1.581 . . . . 0.0 114.825 -172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 p -138.57 158.25 44.61 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.126 1.37 . . . . 0.0 113.523 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.91 136.25 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.916 2.086 . . . . 0.0 108.816 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.58 157.7 19.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.429 0.692 . . . . 0.0 111.661 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -47.74 -55.19 18.19 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.61 -21.95 28.86 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.938 1.759 . . . . 0.0 113.377 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -72.11 -40.65 68.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.745 0.702 . . . . 0.0 111.209 172.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.68 -41.5 90.8 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.515 -0.741 . . . . 0.0 111.97 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.01 -21.4 63.55 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -35.36 78.77 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.875 0.761 . . . . 0.0 113.008 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.0 ptp -85.45 -30.44 23.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.952 0.796 . . . . 0.0 112.484 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -65.06 -31.58 72.86 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.631 -0.668 . . . . 0.0 111.953 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.39 81.66 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.462 0.705 . . . . 0.0 112.273 169.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -71.51 -40.41 70.16 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.062 1.345 . . . . 0.0 112.002 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -67.1 -3.23 6.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.742 1.617 . . . . 0.0 113.972 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.6 mtm -117.43 31.81 6.51 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 114.001 172.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -71.11 168.58 16.86 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.9 -1.125 . . . . 0.0 111.485 167.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -138.78 177.13 8.11 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.369 1.468 . . . . 0.0 112.091 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.261 44.7 p 55.32 -90.94 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 128.554 2.741 . . . . 0.0 114.244 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.27 -18.79 48.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.403 1.481 . . . . 0.0 113.464 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t 61.34 121.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.132 2.573 . . . . 0.0 116.12 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.07 -45.15 87.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.214 -0.929 . . . . 0.0 112.145 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.22 -32.66 73.03 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.186 -0.946 . . . . 0.0 112.797 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.94 -47.94 70.12 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.577 0.751 . . . . 0.0 111.254 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -60.47 -44.08 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.515 1.126 . . . . 0.0 110.381 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -59.99 -44.8 94.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.536 0.734 . . . . 0.0 112.346 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.87 -39.39 69.68 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.62 76.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.103 0.961 . . . . 0.0 112.628 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.34 -45.45 76.34 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.022 -1.049 . . . . 0.0 111.841 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -60.19 -26.4 66.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.0 t -60.57 -34.93 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.05 1.34 . . . . 0.0 112.382 169.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.47 -18.15 27.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.12 1.368 . . . . 0.0 114.184 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -58.7 120.11 8.34 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.479 1.111 . . . . 0.0 111.469 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -69.33 -32.36 71.41 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.667 1.587 . . . . 0.0 113.456 -172.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -122.52 -13.56 7.97 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.94 19.76 74.57 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.002 1.287 . . . . 0.0 113.47 -170.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -98.21 3.23 48.94 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.565 1.546 . . . . 0.0 114.786 -170.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.85 20.82 57.25 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 119.59 1.086 . . . . 0.0 114.13 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.68 164.44 31.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.92 1.288 . . . . 0.0 110.946 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.76 153.0 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.864 1.666 . . . . 0.0 109.227 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 m -76.0 139.9 41.72 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.329 -1.482 . . . . 0.0 111.142 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.25 83.44 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.067 -1.021 . . . . 0.0 112.835 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.99 -29.5 70.43 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 174.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -75.75 -44.87 39.56 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.364 -0.835 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -68.13 -36.95 80.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.28 0.946 . . . . 0.0 111.139 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -63.32 -36.89 85.17 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.392 0.996 . . . . 0.0 112.039 170.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.7 -65.03 0.75 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.545 170.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.0 m -56.67 -41.37 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 120.543 1.519 . . . . 0.0 112.413 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.1 mmt -74.63 -11.34 60.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 p -119.59 -1.01 10.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.942 1.297 . . . . 0.0 113.756 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.6 -29.99 8.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.588 1.555 . . . . 0.0 113.516 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.41 143.79 50.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.645 1.178 . . . . 0.0 110.767 -168.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.02 -145.84 34.14 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.732 0.629 . . . . 0.0 114.289 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.21 -9.65 58.46 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.383 1.473 . . . . 0.0 114.738 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm 54.55 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.102 2.561 . . . . 0.0 114.378 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.97 149.1 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.751 1.22 . . . . 0.0 112.064 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.4 171.83 10.54 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 122.131 0.967 . . . . 0.0 111.907 173.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -56.88 -48.99 76.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.689 1.996 . . . . 0.0 115.369 -174.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -81.77 -26.78 34.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.955 1.302 . . . . 0.0 112.321 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -44.73 77.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.058 1.343 . . . . 0.0 112.019 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.94 -30.73 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.271 0.628 . . . . 0.0 111.436 172.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.11 -38.77 82.62 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.02 -1.05 . . . . 0.0 112.078 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.56 -36.37 76.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.296 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.3 ttm -64.31 -49.34 72.15 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.821 0.849 . . . . 0.0 111.06 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.88 -45.26 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 119.343 0.974 . . . . 0.0 110.485 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -56.58 -36.91 69.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.817 1.247 . . . . 0.0 113.534 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -99.4 -23.31 15.18 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.58 -32.36 28.52 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 119.211 0.914 . . . . 0.0 113.162 174.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -76.71 65.01 2.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.574 1.55 . . . . 0.0 111.805 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 pt -63.12 -22.1 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.113 0.965 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -77.08 -17.47 58.69 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.588 1.155 . . . . 0.0 113.214 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.1 30.4 75.56 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.763 1.173 . . . . 0.0 113.313 -175.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -140.2 26.54 2.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.257 1.423 . . . . 0.0 113.174 -168.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.6 24.53 76.03 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 120.811 -1.181 . . . . 0.0 114.123 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -121.36 90.76 3.38 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.385 1.474 . . . . 0.0 108.996 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.5 m -73.39 101.4 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.257 1.023 . . . . 0.0 110.252 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.34 87.22 6.16 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.908 0.861 . . . . 0.0 110.534 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -59.66 -31.35 69.46 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.717 -174.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 -40.06 95.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 121.054 1.752 . . . . 0.0 112.239 -174.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.69 -36.38 70.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.133 -0.979 . . . . 0.0 111.768 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.07 -40.37 94.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.473 1.109 . . . . 0.0 113.264 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.42 -47.63 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 119.378 0.99 . . . . 0.0 109.454 175.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -38.6 91.51 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.321 -174.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.5 ttp -66.28 -50.16 64.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.938 1.295 . . . . 0.0 112.756 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.57 -45.12 95.11 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.013 0.824 . . . . 0.0 111.48 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.0 p -84.79 8.68 16.4 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.57 136.92 56.8 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.035 -1.041 . . . . 0.0 112.833 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.395 1.878 . . . . 0.0 111.863 -175.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 CA-C-O 119.885 -0.397 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -68.01 160.45 48.52 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.037 3.158 . . . . 0.0 112.907 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 177.84 -157.35 21.62 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.291 0.948 . . . . 0.0 113.763 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -157.33 177.2 11.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.884 1.674 . . . . 0.0 111.466 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -56.71 -24.91 52.68 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -53.25 -35.67 60.26 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.833 1.197 . . . . 0.0 113.483 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.33 -41.29 96.79 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.812 1.245 . . . . 0.0 112.94 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -83.28 -38.31 22.32 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.074 0.95 . . . . 0.0 112.053 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.25 -45.83 79.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.679 1.592 . . . . 0.0 111.776 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.8 -29.21 69.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.8 m -95.75 -29.49 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.294 1.038 . . . . 0.0 112.451 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.1 m -57.16 -41.05 78.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.369 1.068 . . . . 0.0 110.636 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.54 85.24 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.734 -0.603 . . . . 0.0 110.739 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 58.7 mt -62.75 -38.37 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.875 -1.141 . . . . 0.0 112.235 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.86 -40.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.074 0.95 . . . . 0.0 110.742 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.65 -39.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.468 1.107 . . . . 0.0 111.479 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -56.88 -45.12 82.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.339 1.056 . . . . 0.0 111.378 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.2 -56.28 23.8 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.749 1.22 . . . . 0.0 111.215 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.51 75.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.63 -50.08 64.16 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.665 0.386 . . . . 0.0 111.979 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -65.96 -33.04 74.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.426 -0.796 . . . . 0.0 112.002 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -57.89 -41.18 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.812 1.245 . . . . 0.0 111.007 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.9 t80 -71.03 -39.71 72.16 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.49 -33.9 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.172 -0.955 . . . . 0.0 111.891 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.67 -49.08 77.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.991 0.916 . . . . 0.0 111.454 170.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.64 -35.83 73.14 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.611 0.764 . . . . 0.0 112.196 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -66.56 -48.57 69.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.946 0.899 . . . . 0.0 112.679 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 62.0 pttt -79.05 -27.24 43.11 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.8 t -65.86 141.08 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.287 1.035 . . . . 0.0 111.933 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -66.55 142.03 57.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.341 1.456 . . . . 0.0 112.451 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 16.5 pttm . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.88 2.072 . . . . 0.0 112.115 -171.572 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -70.64 -45.06 65.88 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.113 0.965 . . . . 0.0 111.869 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -45.95 92.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.29 0.636 . . . . 0.0 110.59 172.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.12 -45.48 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.073 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.72 74.7 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.765 1.166 . . . . 0.0 112.975 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.46 -46.65 75.67 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.113 -0.992 . . . . 0.0 111.573 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -65.69 -36.97 85.15 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.438 0.695 . . . . 0.0 112.279 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.21 -52.3 64.92 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.769 1.627 . . . . 0.0 110.936 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.42 -52.08 63.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.464 0.705 . . . . 0.0 111.62 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.4 75.67 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -71.05 -47.6 57.57 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.454 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -62.44 -28.32 69.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.638 1.175 . . . . 0.0 113.153 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.25 -19.39 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.807 1.243 . . . . 0.0 113.854 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' CD2' HG22 ' A' ' 35' ' ' VAL . 42.4 m-85 -120.59 4.27 10.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 112.817 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 120.706 -1.246 . . . . 0.0 110.202 172.172 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.63 26.55 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.017 1.294 . . . . 0.0 114.229 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 p -140.63 158.19 44.35 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.916 1.358 . . . . 0.0 114.302 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -135.63 171.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 127.527 2.331 . . . . 0.0 110.516 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.4 p -83.7 159.06 21.59 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 122.421 1.105 . . . . 0.0 112.925 169.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.419 ' HB ' HD13 ' A' ' 52' ' ' ILE . 36.0 p -60.41 -28.25 68.11 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.449 1.099 . . . . 0.0 112.54 170.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.29 -40.63 74.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.815 1.246 . . . . 0.0 112.547 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.97 -20.63 61.0 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.12 -58.33 4.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.907 1.231 . . . . 0.0 112.096 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.99 -26.99 73.27 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.179 -0.95 . . . . 0.0 113.388 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -70.29 -38.96 75.13 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.004 0.902 . . . . 0.0 111.078 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 19' ' ' PHE . 52.9 t -64.04 -45.35 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.324 1.049 . . . . 0.0 110.529 171.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.6 mtp -57.06 -41.46 78.77 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.766 1.166 . . . . 0.0 112.136 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.58 -22.61 65.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.834 0.853 . . . . 0.0 113.028 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 t -67.89 -33.12 74.11 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.327 0.967 . . . . 0.0 111.866 169.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.14 2.64 17.38 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.559 1.144 . . . . 0.0 112.818 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.19 -1.15 86.11 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.587 1.565 . . . . 0.0 115.151 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -90.12 121.01 31.78 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.844 1.322 . . . . 0.0 110.629 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -101.06 96.15 5.46 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.572 0.749 . . . . 0.0 110.89 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.8 155.12 53.93 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.095 3.197 . . . . 0.0 113.114 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.53 149.28 38.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.452 1.101 . . . . 0.0 110.38 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -59.71 -34.47 72.94 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.636 -1.29 . . . . 0.0 112.837 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.31 88.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.064 0.946 . . . . 0.0 112.834 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.74 -46.64 78.1 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.744 -0.597 . . . . 0.0 110.866 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.36 -47.61 83.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.948 0.499 . . . . 0.0 111.431 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -60.85 -41.65 96.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.57 -42.33 91.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.57 0.748 . . . . 0.0 112.656 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.5 -42.65 87.08 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.373 -0.829 . . . . 0.0 111.852 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 ' HB ' ' A' ' 29' ' ' THR . 60.3 mt -68.21 -31.11 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 123.465 0.706 . . . . 0.0 111.762 177.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.7 -36.68 72.3 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.271 1.396 . . . . 0.0 112.335 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -85.86 -41.15 15.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.673 0.789 . . . . 0.0 112.702 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.15 -46.52 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.466 1.106 . . . . 0.0 112.801 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -104.38 45.31 0.97 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.518 1.527 . . . . 0.0 112.587 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.19 -23.8 64.28 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.02 -1.05 . . . . 0.0 113.527 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -83.79 -8.05 59.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.775 1.23 . . . . 0.0 114.084 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.21 35.1 69.95 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.653 1.12 . . . . 0.0 115.091 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -78.13 -18.49 55.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 113.555 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.81 15.37 81.36 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.145 1.355 . . . . 0.0 114.462 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.3 p -135.89 159.36 41.92 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.194 1.398 . . . . 0.0 113.756 -173.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.2 mt -137.94 137.85 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 127.242 2.217 . . . . 0.0 109.039 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.61 157.24 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.469 0.708 . . . . 0.0 111.577 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -42.38 -52.64 9.93 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.41 -28.79 26.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.956 1.771 . . . . 0.0 114.301 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -29.39 64.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.146 -0.971 . . . . 0.0 112.365 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -69.92 -47.26 63.15 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 0.0 111.212 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.06 -32.48 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.032 -1.043 . . . . 0.0 112.676 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -51.37 -47.23 62.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.412 1.485 . . . . 0.0 112.347 172.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.2 ptp -80.8 -34.07 34.32 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.61 0.641 . . . . 0.0 112.235 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -63.86 -33.11 74.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.391 0.541 . . . . 0.0 112.193 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 123.525 0.73 . . . . 0.0 111.318 169.442 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.5 -35.97 78.24 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.612 -0.68 . . . . 0.0 112.392 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.41 -45.86 85.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.876 0.87 . . . . 0.0 111.428 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -65.52 -45.83 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.674 1.19 . . . . 0.0 110.982 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -60.55 -39.83 89.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.758 1.163 . . . . 0.0 112.373 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -68.9 -45.52 70.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.752 0.705 . . . . 0.0 111.839 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.44 80.65 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.158 0.983 . . . . 0.0 112.833 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.36 -43.85 72.75 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.219 -0.926 . . . . 0.0 112.41 172.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -58.87 -26.69 64.48 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.69 -32.92 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.191 1.396 . . . . 0.0 112.328 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 14.4 m-85 -92.99 -24.26 18.42 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.903 1.281 . . . . 0.0 113.96 176.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.0 t0 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.349 1.06 . . . . 0.0 110.252 175.432 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.35 0 N-CA-C 113.609 0.204 . . . . 0.0 113.609 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 162.33 38.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -132.65 140.84 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.584 1.954 . . . . 0.0 108.613 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -66.21 142.72 57.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.48 -1.387 . . . . 0.0 111.252 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.4 95.41 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.001 -1.062 . . . . 0.0 112.831 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.07 -28.56 68.93 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.473 0.709 . . . . 0.0 112.869 174.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.95 -49.53 36.67 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.875 0.87 . . . . 0.0 111.163 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.63 -40.49 95.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.012 0.824 . . . . 0.0 110.825 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -58.01 -40.73 81.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.26 1.024 . . . . 0.0 112.5 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -59.02 -59.14 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.584 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.561 HG13 HD12 ' A' ' 112' ' ' LEU . 1.6 t -59.31 -46.05 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.982 1.265 . . . . 0.0 111.202 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.5 mmt -66.88 -14.6 62.91 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.0 p -120.33 8.57 10.85 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -106.61 -45.28 4.27 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.206 1.402 . . . . 0.0 111.398 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.561 HD12 HG13 ' A' ' 108' ' ' VAL . 15.0 mt -116.11 157.53 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 111.394 -167.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.02 -148.45 50.95 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 121.721 0.623 . . . . 0.0 113.878 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -71.44 -12.92 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.085 1.754 . . . . 0.0 114.739 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.2 129.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.004 2.521 . . . . 0.0 112.54 -166.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.59 150.96 26.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.279 0.632 . . . . 0.0 109.446 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.95 159.82 29.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.954 0.902 . . . . 0.0 110.717 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -49.83 -46.5 51.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.321 1.448 . . . . 0.0 114.055 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -79.99 -21.7 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 0.0 113.007 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.6 -41.13 21.97 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.809 1.643 . . . . 0.0 111.789 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.37 -34.69 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.706 -0.621 . . . . 0.0 111.136 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.21 -44.09 84.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.446 0.698 . . . . 0.0 111.255 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.36 -40.56 74.73 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.643 0.777 . . . . 0.0 111.617 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.36 -51.0 69.92 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.871 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.98 -34.31 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 120.53 1.514 . . . . 0.0 111.752 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -59.42 -28.7 67.17 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.625 1.102 . . . . 0.0 113.591 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.27 -22.54 8.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.637 1.575 . . . . 0.0 113.829 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -75.17 -34.24 61.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.907 2.083 . . . . 0.0 112.506 169.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.3 t0 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 125.134 1.374 . . . . 0.0 110.439 169.32 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.253 0 N-CA-C 113.823 0.289 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -129.45 104.22 7.35 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.709 1.604 . . . . 0.0 110.196 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.488 HG13 ' HB1' ' A' ' 128' ' ' ALA . 8.7 t -73.21 131.09 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.86 89.11 3.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 122.386 1.089 . . . . 0.0 111.652 170.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -62.36 -27.8 69.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.238 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.79 -27.84 69.17 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.387 0.994 . . . . 0.0 113.174 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -86.54 -37.91 17.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -61.91 -41.86 98.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.364 1.066 . . . . 0.0 112.804 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.6 p -60.15 -42.44 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.332 1.053 . . . . 0.0 112.084 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -64.96 -43.3 93.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 111.004 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.6 ttp -61.41 -45.56 93.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.622 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.8 mtm -66.97 -38.98 87.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.482 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 63.5 tp60 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -55.17 -49.27 72.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 0.0 111.987 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.452 ' HA ' HD13 ' A' ' 112' ' ' LEU . 18.0 tt0 -71.07 -19.45 62.48 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.7 m -101.95 -32.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.637 1.175 . . . . 0.0 112.334 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.7 m -59.49 -39.66 84.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.564 1.146 . . . . 0.0 111.259 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.84 74.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.786 -0.572 . . . . 0.0 111.213 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.5 mt -61.29 -40.44 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.439 0.696 . . . . 0.0 111.442 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.93 -43.85 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.619 1.168 . . . . 0.0 111.153 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.44 -36.7 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.722 0.809 . . . . 0.0 110.509 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.07 -41.91 97.17 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 111.889 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -58.62 -50.54 73.46 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.559 0.744 . . . . 0.0 111.131 173.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.2 96.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.755 0.822 . . . . 0.0 112.439 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.21 -52.36 35.09 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -66.03 -26.8 67.68 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.491 -0.756 . . . . 0.0 112.648 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.34 -44.76 86.71 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.974 0.807 . . . . 0.0 111.1 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.69 -34.54 78.44 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 CA--C 1.544 0.72 0 CA-C-N 119.444 1.02 . . . . 0.0 113.054 176.823 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -73.03 -42.45 63.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.487 1.115 . . . . 0.0 112.193 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -67.41 -39.76 85.53 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.679 -0.638 . . . . 0.0 112.405 173.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.51 -44.92 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.195 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.93 89.03 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.422 1.01 . . . . 0.0 113.212 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.42 -46.65 79.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.201 -0.937 . . . . 0.0 111.997 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -68.52 -33.19 73.69 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.532 0.733 . . . . 0.0 112.757 175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.47 -48.37 71.87 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.271 1.428 . . . . 0.0 110.898 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.65 -55.55 22.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.592 0.757 . . . . 0.0 111.311 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.29 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -75.66 -52.12 11.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.108 0.867 . . . . 0.0 111.801 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.8 p -64.35 -20.55 66.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -28.23 27.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.981 1.712 . . . . 0.0 112.924 168.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CD2' HG22 ' A' ' 35' ' ' VAL . 74.1 m-85 -116.7 1.48 12.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.006 1.322 . . . . 0.0 113.636 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 t0 . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.989 0.9 . . . . 0.0 110.161 173.645 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 29.51 38.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.287 0.946 . . . . 0.0 113.587 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -139.86 159.83 41.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.4 1.48 . . . . 0.0 112.643 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 pt -133.2 172.03 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 126.646 1.978 . . . . 0.0 110.608 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -84.26 161.36 20.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.518 1.151 . . . . 0.0 112.823 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 p -61.6 -23.99 66.38 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.44 1.096 . . . . 0.0 113.033 169.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -84.01 -33.69 24.49 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.0 -23.32 63.12 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.827 170.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.97 -59.14 3.3 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.221 1.373 . . . . 0.0 112.128 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.62 69.08 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.256 -0.902 . . . . 0.0 113.275 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 m -76.05 -36.51 59.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.988 0.915 . . . . 0.0 111.791 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 19' ' ' PHE . 53.0 t -63.83 -39.74 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.79 0.836 . . . . 0.0 110.467 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.0 mtp -63.92 -42.11 97.48 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.18 -0.95 . . . . 0.0 112.1 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.6 -36.48 78.67 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 121.279 -0.888 . . . . 0.0 112.582 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -63.34 -36.26 83.12 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.872 0.869 . . . . 0.0 112.073 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -81.17 25.72 0.47 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.207 1.803 . . . . 0.0 113.531 169.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.54 15.56 77.51 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 168.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -141.48 128.63 20.91 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.296 1.548 . . . . 0.0 112.409 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -103.52 94.33 5.89 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.128 0.971 . . . . 0.0 111.506 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.7 156.33 66.43 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.677 2.918 . . . . 0.0 112.244 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -76.46 159.71 30.17 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.66 -0.65 . . . . 0.0 111.659 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -38.89 82.77 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.297 -0.877 . . . . 0.0 111.986 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.0 83.68 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.882 0.873 . . . . 0.0 112.334 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.4 -42.12 88.33 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.456 -0.778 . . . . 0.0 111.91 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.82 -47.75 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.653 -0.655 . . . . 0.0 111.226 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.53 -41.37 89.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.541 0.609 . . . . 0.0 112.168 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.38 -39.43 93.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.941 0.896 . . . . 0.0 113.068 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -70.91 -42.28 70.11 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.977 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -68.01 -28.75 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.26 1.024 . . . . 0.0 111.883 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -58.96 -33.17 70.34 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.078 1.308 . . . . 0.0 112.987 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -85.45 -46.78 10.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.412 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -68.18 -40.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 0.0 113.409 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -115.18 48.07 1.22 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.173 1.789 . . . . 0.0 111.837 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.77 62.75 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.085 -1.009 . . . . 0.0 113.229 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -78.17 -13.81 59.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.054 1.341 . . . . 0.0 114.045 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.56 29.62 69.58 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.817 1.199 . . . . 0.0 115.35 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -77.93 -16.93 57.8 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 118.725 1.262 . . . . 0.0 113.802 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.06 18.41 74.75 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.563 1.554 . . . . 0.0 114.514 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -137.35 160.17 39.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.887 1.275 . . . . 0.0 114.055 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.3 mt -142.53 136.15 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.879 2.072 . . . . 0.0 109.208 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.63 157.35 18.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.345 0.658 . . . . 0.0 111.529 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.45 -55.65 11.49 Favored Pre-proline 0 CA--C 1.547 0.852 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.81 -24.08 25.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.971 1.781 . . . . 0.0 113.624 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.11 -34.11 65.97 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.475 -0.766 . . . . 0.0 111.618 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.08 -40.41 90.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.523 -0.735 . . . . 0.0 112.417 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.42 -23.02 65.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -58.63 -37.73 76.53 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.891 0.769 . . . . 0.0 112.83 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.85 -31.97 25.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.13 0.572 . . . . 0.0 112.106 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -63.97 -34.99 79.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.124 0.569 . . . . 0.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 124.096 0.958 . . . . 0.0 112.997 171.675 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -39.28 92.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.806 0.842 . . . . 0.0 111.279 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -47.34 59.4 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.656 1.182 . . . . 0.0 111.728 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.64 -44.9 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.093 0.957 . . . . 0.0 110.604 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -63.79 -42.41 97.75 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.0 0.818 . . . . 0.0 111.985 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.96 -44.05 90.64 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.5 0.591 . . . . 0.0 111.996 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.59 83.5 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.4 1.08 . . . . 0.0 112.778 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.65 -43.54 76.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.124 -0.985 . . . . 0.0 112.077 172.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.81 -26.81 67.58 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.487 -0.758 . . . . 0.0 112.981 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.49 -31.3 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.046 0.938 . . . . 0.0 112.541 169.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 12.8 m-85 -92.16 -24.64 19.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.498 1.119 . . . . 0.0 113.83 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.2 t0 . . . . . 0 N--CA 1.475 0.8 0 CA-C-N 119.362 0.983 . . . . 0.0 109.702 176.334 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 CA-C-O 120.965 0.203 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 162.0 40.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.463 1.105 . . . . 0.0 112.524 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.03 143.19 40.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 127.219 2.208 . . . . 0.0 107.936 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 150.95 43.48 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.884 -1.76 . . . . 0.0 112.568 175.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.913 -1.117 . . . . 0.0 112.345 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.28 -33.07 73.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.237 0.615 . . . . 0.0 111.905 173.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.97 -44.62 69.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.054 1.342 . . . . 0.0 112.796 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.01 -40.68 71.67 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.944 0.793 . . . . 0.0 110.861 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -59.01 -39.92 83.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.986 0.812 . . . . 0.0 112.002 173.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -57.32 -62.79 1.52 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 118.515 0.598 . . . . 0.0 110.672 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.724 HG23 HD12 ' A' ' 112' ' ' LEU . 14.8 p -64.83 -36.37 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.03 0.832 . . . . 0.0 112.834 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -69.44 -12.16 61.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 p -121.28 3.2 10.34 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.669 1.188 . . . . 0.0 113.832 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -109.09 -39.52 5.25 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.389 1.875 . . . . 0.0 112.494 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.724 HD12 HG23 ' A' ' 108' ' ' VAL . 27.7 mt -125.42 141.04 52.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.508 1.123 . . . . 0.0 111.248 -169.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.26 -146.88 30.94 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.14 -11.91 61.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.566 1.546 . . . . 0.0 114.92 -171.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.88 99.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.087 2.555 . . . . 0.0 114.435 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.45 150.85 38.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.772 1.229 . . . . 0.0 112.35 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 160.3 30.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.729 0.812 . . . . 0.0 110.161 169.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.33 -39.31 86.61 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.103 -0.998 . . . . 0.0 113.363 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -71.86 -33.5 68.46 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.943 -1.098 . . . . 0.0 112.439 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -40.77 66.04 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.962 1.305 . . . . 0.0 111.703 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.79 -33.65 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.434 -0.791 . . . . 0.0 111.582 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.61 -37.87 83.12 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.164 -0.96 . . . . 0.0 111.838 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -59.3 -38.79 81.12 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.313 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.1 ttm -59.93 -53.62 55.78 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.872 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.2 mm -58.51 -37.46 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 120.931 1.696 . . . . 0.0 111.585 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.0 ttp85 -57.26 -26.8 61.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.095 1.358 . . . . 0.0 114.2 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.79 -20.93 8.04 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.471 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -75.38 -33.69 61.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.027 2.131 . . . . 0.0 112.447 170.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 124.884 1.274 . . . . 0.0 109.885 168.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.265 0 N-CA-C 114.604 0.602 . . . . 0.0 114.604 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.99 104.28 7.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.107 1.363 . . . . 0.0 110.779 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.471 HG13 ' HB1' ' A' ' 128' ' ' ALA . 5.8 t -72.88 128.46 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.112 0.565 . . . . 0.0 110.071 171.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -98.52 94.85 6.92 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.375 -0.828 . . . . 0.0 109.321 167.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 142' ' ' VAL . 7.5 p90 -59.75 -29.12 67.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.824 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.63 -38.06 80.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.07 1.304 . . . . 0.0 112.672 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -74.65 -38.54 62.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.542 0.737 . . . . 0.0 111.309 170.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.04 -42.52 94.25 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.48 1.112 . . . . 0.0 113.38 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 138' ' ' TYR . 3.0 t -58.2 -47.53 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 119.471 1.032 . . . . 0.0 109.355 176.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -66.94 -36.16 81.61 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.87 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.3 ttp -67.26 -48.16 68.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.002 1.321 . . . . 0.0 112.709 171.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.8 mtm -61.54 -42.61 99.08 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.129 0.877 . . . . 0.0 111.761 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.478 0.948 0 C-N-CA 125.494 1.518 . . . . 0.0 114.542 -179.216 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.8 tp60 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -55.51 -46.05 77.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.041 1.337 . . . . 0.0 112.069 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.419 ' HA ' HD13 ' A' ' 112' ' ' LEU . 46.9 tt0 -66.63 -24.77 66.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 6.1 m -99.87 -31.66 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.274 1.03 . . . . 0.0 112.118 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.5 m -56.79 -40.58 76.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.774 1.23 . . . . 0.0 111.117 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.0 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.359 0.663 . . . . 0.0 110.839 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.99 -38.16 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.301 -0.874 . . . . 0.0 111.849 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.62 -43.45 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.92 1.288 . . . . 0.0 111.023 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.49 -41.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -55.1 -49.58 71.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.121 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -60.46 -52.79 63.7 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.149 1.38 . . . . 0.0 111.834 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.1 69.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.2 t80 -69.95 -49.51 51.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -66.99 -29.34 69.16 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.182 1.355 . . . . 0.0 111.202 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -60.21 -43.11 96.25 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.469 -0.769 . . . . 0.0 110.857 168.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 91.7 t80 -66.01 -39.48 90.29 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.546 0.801 0 O-C-N 121.325 -0.859 . . . . 0.0 111.593 171.827 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -69.73 -43.3 72.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.284 1.034 . . . . 0.0 112.505 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.52 -45.32 91.17 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.448 0.699 . . . . 0.0 111.143 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -45.05 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.999 0.919 . . . . 0.0 110.474 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.9 -36.29 83.89 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.883 0.765 . . . . 0.0 113.037 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.33 -45.79 79.03 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.251 -0.906 . . . . 0.0 111.902 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -65.38 -34.28 77.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.468 0.707 . . . . 0.0 112.669 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -54.32 -50.94 66.21 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.572 1.549 . . . . 0.0 111.641 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.54 -50.14 64.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.663 0.785 . . . . 0.0 111.666 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.0 74.22 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -74.66 -49.22 22.21 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.013 0.824 . . . . 0.0 112.258 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -60.11 -24.45 64.66 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.315 1.046 . . . . 0.0 112.7 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.13 -21.0 7.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.923 1.689 . . . . 0.0 114.593 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' HG12 ' A' ' 35' ' ' VAL . 24.9 m-85 -129.77 7.44 5.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.553 1.541 . . . . 0.0 113.108 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 C--O 1.237 0.439 0 CA-C-O 122.808 1.29 . . . . 0.0 111.359 177.708 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.88 32.56 9.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.394 0.997 . . . . 0.0 114.915 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.0 p -139.75 152.97 47.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.038 1.419 . . . . 0.0 113.651 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.05 171.25 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 126.822 2.049 . . . . 0.0 110.656 173.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.1 p -84.54 155.55 22.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 122.224 1.012 . . . . 0.0 112.459 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.469 ' HB ' HD13 ' A' ' 52' ' ' ILE . 40.0 p -62.94 -25.65 68.44 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.921 0.888 . . . . 0.0 112.401 172.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -75.41 -38.0 60.1 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.47 -12.83 59.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -43.53 -57.51 3.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.819 1.248 . . . . 0.0 111.527 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.22 -21.9 74.18 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.665 -0.519 . . . . 0.0 114.204 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.01 -41.33 71.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.464 1.132 . . . . 0.0 110.193 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.298 1.4 m -71.35 -35.78 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.457 -0.783 . . . . 0.0 112.296 175.55 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.12 -38.24 70.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.177 1.353 . . . . 0.0 112.784 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -67.86 -23.02 65.09 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -69.53 -30.43 68.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.985 0.811 . . . . 0.0 112.087 169.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.17 2.76 38.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.778 1.231 . . . . 0.0 112.918 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.42 1.01 90.29 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.272 1.415 . . . . 0.0 115.845 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -91.62 125.46 36.36 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.482 1.641 . . . . 0.0 110.577 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.59 91.36 4.04 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.586 1.154 . . . . 0.0 108.783 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.25 151.8 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.899 3.066 . . . . 0.0 112.449 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -79.77 164.64 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.51 -35.56 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.927 -1.108 . . . . 0.0 112.049 172.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.17 82.98 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.953 0.901 . . . . 0.0 112.359 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.92 -47.17 86.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.436 0.694 . . . . 0.0 110.914 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.82 -49.29 78.08 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.682 -0.636 . . . . 0.0 112.46 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.88 -39.64 95.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.289 0.95 . . . . 0.0 112.02 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.94 -41.6 97.58 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.515 0.726 . . . . 0.0 112.302 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.6 mtm -68.27 -43.02 78.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.509 -0.744 . . . . 0.0 112.142 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 HD13 ' HB ' ' A' ' 29' ' ' THR . 56.7 mt -66.36 -26.6 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 118.881 0.764 . . . . 0.0 111.954 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.19 -25.2 58.62 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.732 -1.23 . . . . 0.0 112.796 173.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -82.25 -17.21 46.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 13.0 m -121.17 -22.67 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -169.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.52 46.27 1.7 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.334 0.97 . . . . 0.0 113.362 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.47 -24.98 64.04 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.148 -0.97 . . . . 0.0 113.405 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -83.08 -8.08 59.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.946 1.298 . . . . 0.0 114.369 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.65 39.34 56.04 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -75.86 -23.08 55.64 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.932 1.293 . . . . 0.0 112.739 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.71 18.99 79.03 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 126.879 2.18 . . . . 0.0 115.088 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -135.4 157.88 45.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.127 1.371 . . . . 0.0 113.518 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 mt -139.8 137.62 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 127.011 2.124 . . . . 0.0 108.611 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.57 159.22 18.67 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.683 0.674 . . . . 0.0 111.722 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -48.73 -56.22 16.06 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.36 -21.33 30.86 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.945 1.764 . . . . 0.0 113.102 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -41.16 68.47 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.435 0.561 . . . . 0.0 111.307 173.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -60.35 -39.99 89.13 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.15 -0.969 . . . . 0.0 112.18 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.34 -22.54 65.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -38.62 87.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.728 . . . . 0.0 112.645 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.88 -32.23 25.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.721 -0.612 . . . . 0.0 111.915 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mmm -64.77 -36.93 85.89 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.697 -0.627 . . . . 0.0 112.465 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 123.145 0.578 . . . . 0.0 112.103 171.037 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.43 -42.45 98.7 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.678 0.791 . . . . 0.0 111.687 171.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.72 -47.85 61.62 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.6 0.76 . . . . 0.0 111.948 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.79 -46.21 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.954 0.902 . . . . 0.0 110.245 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.47 -42.5 98.88 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.864 0.866 . . . . 0.0 112.507 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -72.51 -39.5 67.57 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.881 0.764 . . . . 0.0 112.712 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.23 79.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.345 1.058 . . . . 0.0 112.421 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.96 -43.89 81.95 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.092 -1.005 . . . . 0.0 112.135 170.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -60.28 -26.27 66.36 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.25 -31.12 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.129 1.372 . . . . 0.0 112.734 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.0 m-85 -91.86 -21.76 20.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.671 1.188 . . . . 0.0 113.922 175.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 124.114 0.966 . . . . 0.0 110.204 176.714 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 N-CA-C 113.69 0.236 . . . . 0.0 113.69 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.4 164.21 34.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.104 1.362 . . . . 0.0 111.665 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.8 mt -131.11 137.67 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.305 1.842 . . . . 0.0 108.837 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 m -64.57 141.86 58.62 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.266 -1.521 . . . . 0.0 111.685 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.96 87.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.329 -0.857 . . . . 0.0 112.598 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.12 72.2 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -75.47 -42.22 53.61 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.923 0.889 . . . . 0.0 112.145 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.4 -40.08 81.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.024 0.829 . . . . 0.0 110.776 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -61.03 -40.53 93.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.47 0.708 . . . . 0.0 111.8 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -56.27 -62.78 1.48 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.535 0.734 . . . . 0.0 110.448 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.804 HG23 HD12 ' A' ' 112' ' ' LEU . 14.4 p -64.66 -36.31 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 119.067 0.849 . . . . 0.0 113.101 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -68.47 -15.06 63.41 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -118.38 -1.69 11.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.704 1.202 . . . . 0.0 114.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -103.56 -37.77 7.42 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.896 1.678 . . . . 0.0 112.595 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.804 HD12 HG23 ' A' ' 108' ' ' VAL . 24.3 mt -123.87 159.57 29.36 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.24 1.416 . . . . 0.0 110.666 -169.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.14 -143.64 39.82 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.935 -0.575 . . . . 0.0 114.031 -170.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.13 -10.26 59.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.568 1.147 . . . . 0.0 113.547 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 60.08 103.18 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.14 2.576 . . . . 0.0 113.057 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.4 153.14 43.55 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.755 0.822 . . . . 0.0 111.82 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 160.66 28.16 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 121.636 -0.665 . . . . 0.0 110.407 169.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.77 -48.18 70.01 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -71.31 -29.79 65.46 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.917 -1.114 . . . . 0.0 112.467 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.84 -42.38 73.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.688 1.195 . . . . 0.0 111.537 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.61 -33.42 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.926 0.891 . . . . 0.0 111.981 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -63.95 -37.67 88.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.77 -1.206 . . . . 0.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -63.0 -25.02 68.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.813 0.845 . . . . 0.0 112.375 171.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.29 -53.56 13.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.097 0.862 . . . . 0.0 109.732 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.1 mm -58.05 -34.58 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.862 0.756 . . . . 0.0 111.284 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -48.84 -46.2 41.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.256 1.422 . . . . 0.0 113.03 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -43.62 12.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.43 0.634 . . . . 0.0 111.976 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.608 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -70.68 -35.6 72.89 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.445 1.898 . . . . 0.0 113.822 -168.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.475 0.816 0 C-N-CA 125.556 1.542 . . . . 0.0 111.888 174.08 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.213 0 N-CA-C 113.579 0.191 . . . . 0.0 113.579 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -126.44 90.42 3.17 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.804 1.642 . . . . 0.0 108.993 -175.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' A' ' 128' ' ' ALA . 22.5 t -64.06 121.06 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 121.851 -0.531 . . . . 0.0 109.719 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -95.02 88.03 5.11 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.885 0.85 . . . . 0.0 109.928 172.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 142' ' ' VAL . 3.9 p90 -59.13 -32.78 70.16 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.505 -174.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -60.05 -41.04 91.48 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.261 1.391 . . . . 0.0 112.178 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -78.82 -30.88 45.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.953 0.901 . . . . 0.0 112.482 171.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.52 -38.94 91.91 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.474 -0.766 . . . . 0.0 112.543 174.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 138' ' ' TYR . 3.1 t -59.38 -49.49 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.166 0.894 . . . . 0.0 109.635 172.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -64.7 -34.17 77.68 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.902 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.78 -48.34 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.401 1.48 . . . . 0.0 113.132 172.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.18 -37.99 87.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.588 1.086 . . . . 0.0 112.027 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 125.382 1.473 . . . . 0.0 114.709 178.779 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.16 -46.2 79.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.144 1.377 . . . . 0.0 112.089 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.439 ' HA ' HD13 ' A' ' 112' ' ' LEU . 28.2 tt0 -66.87 -24.39 66.12 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.4 m -101.11 -30.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.752 1.221 . . . . 0.0 112.487 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 69.6 m -55.86 -39.92 72.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.493 1.117 . . . . 0.0 110.66 169.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.63 88.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.539 0.736 . . . . 0.0 110.255 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.04 -38.16 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.239 -0.913 . . . . 0.0 112.39 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.8 mt -58.78 -44.03 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.244 1.017 . . . . 0.0 110.669 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -70.76 -39.47 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.168 0.987 . . . . 0.0 110.896 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.38 -43.07 99.51 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.55 1.068 . . . . 0.0 111.588 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -60.46 -49.19 78.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.102 0.961 . . . . 0.0 111.323 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.9 75.06 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.37 0.668 . . . . 0.0 112.699 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.05 -52.11 31.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -29.26 69.47 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.766 1.167 . . . . 0.0 111.67 175.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -62.68 -40.19 96.32 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.335 0.97 . . . . 0.0 111.83 169.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 60.3 t80 -70.42 -33.85 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.762 1.225 . . . . 0.0 113.227 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.542 0.66 0 O-C-N 121.259 -0.901 . . . . 0.0 112.335 173.661 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.19 -42.42 65.87 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.022 0.929 . . . . 0.0 112.192 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -65.64 -38.73 90.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.546 -0.721 . . . . 0.0 112.024 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.2 mt -66.2 -39.62 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.812 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.59 88.37 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.649 1.113 . . . . 0.0 112.815 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.84 -47.22 81.64 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.228 -0.92 . . . . 0.0 111.684 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -67.29 -34.57 77.68 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.638 0.775 . . . . 0.0 111.786 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.07 -53.57 51.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.647 1.579 . . . . 0.0 110.491 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.44 -52.25 59.0 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.51 71.57 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -74.13 -50.89 17.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.693 0.797 . . . . 0.0 111.721 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -25.24 66.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.747 1.219 . . . . 0.0 112.635 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.59 -23.05 15.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.644 1.578 . . . . 0.0 114.018 171.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CD2' HG22 ' A' ' 35' ' ' VAL . 63.0 m-85 -117.92 0.26 11.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.855 1.662 . . . . 0.0 113.252 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 t0 . . . . . 0 CA--C 1.543 0.711 0 O-C-N 121.325 -0.86 . . . . 0.0 110.411 172.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 33.32 20.44 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.562 1.077 . . . . 0.0 113.814 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -139.97 159.37 42.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.589 1.156 . . . . 0.0 113.579 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 pt -137.23 170.81 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 127.261 2.224 . . . . 0.0 110.954 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -83.0 159.57 22.18 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.169 0.985 . . . . 0.0 112.768 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.476 ' HB ' HD13 ' A' ' 52' ' ' ILE . 39.5 p -61.0 -25.47 66.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.411 1.085 . . . . 0.0 112.748 171.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.29 -42.58 65.35 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.679 1.192 . . . . 0.0 112.455 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.36 -16.74 61.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.69 1.196 . . . . 0.0 113.881 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -57.69 6.48 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.394 1.078 . . . . 0.0 111.391 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -26.5 70.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.497 -0.752 . . . . 0.0 113.238 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 m -74.53 -36.8 63.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.287 1.043 . . . . 0.0 111.874 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG22 ' CD2' ' A' ' 19' ' ' PHE . 43.6 t -63.27 -39.75 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 123.467 0.707 . . . . 0.0 110.239 169.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.7 mtp -65.38 -39.21 91.98 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.867 -1.146 . . . . 0.0 112.618 172.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -61.57 -35.94 79.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.228 0.922 . . . . 0.0 112.325 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -63.41 -36.39 83.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.52 0.728 . . . . 0.0 111.964 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.24 27.84 0.47 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.149 1.779 . . . . 0.0 113.88 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.56 15.63 73.31 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 117.362 1.705 . . . . 0.0 117.362 168.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -140.16 132.86 28.93 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.572 1.686 . . . . 0.0 112.432 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -112.23 86.23 7.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.565 1.146 . . . . 0.0 111.784 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.62 154.61 72.96 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.775 2.983 . . . . 0.0 112.565 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -74.88 163.09 28.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.873 0.869 . . . . 0.0 111.755 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.32 -35.98 76.86 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.127 -0.983 . . . . 0.0 112.189 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.23 74.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.874 0.87 . . . . 0.0 112.252 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.25 -41.12 97.12 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 0.0 111.553 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.4 mt -61.6 -47.59 84.77 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.292 0.637 . . . . 0.0 111.707 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.54 -40.88 88.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.128 0.877 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.57 -37.62 88.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.063 0.945 . . . . 0.0 112.989 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.8 mtm -73.87 -40.0 63.53 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.9 0.773 . . . . 0.0 112.54 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.476 HD13 ' HB ' ' A' ' 29' ' ' THR . 49.6 mt -65.25 -28.83 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -57.79 -30.37 65.62 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.9 1.227 . . . . 0.0 113.599 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.88 -17.92 49.02 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 174.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.62 -42.5 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.102 1.761 . . . . 0.0 113.049 -169.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -122.37 48.67 1.71 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.148 1.779 . . . . 0.0 112.222 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.36 -24.1 64.81 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.214 -0.929 . . . . 0.0 113.161 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.83 -13.67 59.82 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.986 1.314 . . . . 0.0 113.937 174.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.04 30.95 69.55 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.675 1.131 . . . . 0.0 115.05 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -76.65 -17.98 58.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.608 1.204 . . . . 0.0 113.536 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.58 18.39 73.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.579 1.561 . . . . 0.0 114.556 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.8 p -134.14 160.06 38.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.991 1.317 . . . . 0.0 113.904 -174.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.8 mt -141.93 136.4 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.072 2.149 . . . . 0.0 109.192 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.73 157.1 17.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.52 0.728 . . . . 0.0 111.409 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -45.1 -55.86 10.36 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.84 -23.32 26.01 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.711 1.607 . . . . 0.0 113.573 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.0 -30.02 61.04 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.557 -0.715 . . . . 0.0 111.916 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -67.32 -41.75 84.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.856 0.862 . . . . 0.0 112.408 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.67 -21.1 65.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -59.76 -38.03 80.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.707 0.685 . . . . 0.0 112.65 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -83.7 -29.65 27.38 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.437 -0.789 . . . . 0.0 112.536 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mmm -61.12 -38.39 86.19 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.138 0.575 . . . . 0.0 110.969 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 173.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -75.88 -29.31 58.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.321 -0.862 . . . . 0.0 112.377 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -67.91 -44.49 76.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.665 -0.647 . . . . 0.0 111.492 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -58.29 -47.08 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.867 0.867 . . . . 0.0 110.165 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -55.97 -49.06 74.61 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -69.0 -38.95 79.57 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.152 0.887 . . . . 0.0 112.275 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.6 1.16 . . . . 0.0 113.532 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.1 -42.85 36.42 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.236 -0.915 . . . . 0.0 110.989 168.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -61.15 -28.88 69.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.478 1.111 . . . . 0.0 113.753 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.5 -19.93 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 170.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -96.66 -16.16 21.11 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.212 1.405 . . . . 0.0 113.592 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 125.225 1.41 . . . . 0.0 111.497 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.471 0 N-CA-C 114.096 0.398 . . . . 0.0 114.096 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 166.31 31.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.921 1.288 . . . . 0.0 111.485 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.67 136.46 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.623 1.569 . . . . 0.0 109.396 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m -66.65 142.94 57.27 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.646 -1.284 . . . . 0.0 111.912 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.92 90.09 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.245 -0.909 . . . . 0.0 112.802 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.38 72.02 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -73.04 -44.29 60.95 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.76 0.824 . . . . 0.0 111.776 176.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HA ' HG22 ' A' ' 108' ' ' VAL . 11.4 tp -69.07 -37.52 78.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.829 0.741 . . . . 0.0 111.324 174.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -61.65 -38.51 87.98 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.889 -1.132 . . . . 0.0 111.722 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -60.9 -61.11 2.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.352 171.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 105' ' ' LEU . 2.9 m -58.19 -39.4 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.983 1.719 . . . . 0.0 112.732 -175.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -75.29 -13.85 60.46 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.9 p -119.9 -4.05 10.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.063 1.345 . . . . 0.0 114.219 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.43 -23.63 15.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 113.083 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mt -131.94 169.38 16.38 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.565 1.546 . . . . 0.0 111.018 -169.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.25 -139.44 40.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 121.885 0.714 . . . . 0.0 114.322 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -78.14 -7.14 56.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.195 1.398 . . . . 0.0 112.8 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt 53.91 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.936 2.894 . . . . 0.0 113.311 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.62 152.7 29.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.323 1.049 . . . . 0.0 112.727 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -69.01 161.08 29.74 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.405 1.082 . . . . 0.0 111.03 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -56.29 -48.79 75.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.018 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.81 -32.02 68.97 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.271 -0.893 . . . . 0.0 112.469 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.13 -43.92 73.4 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.404 1.482 . . . . 0.0 111.931 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -73.87 -32.66 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 123.503 0.721 . . . . 0.0 111.874 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.13 -36.39 74.75 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.878 -1.139 . . . . 0.0 111.622 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.82 -30.33 65.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.877 0.871 . . . . 0.0 112.114 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -66.41 -56.39 11.27 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.931 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.3 mm -57.02 -37.94 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.782 1.174 . . . . 0.0 112.136 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -55.75 -23.75 31.24 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.395 1.478 . . . . 0.0 114.551 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -123.2 -27.09 4.21 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.912 1.285 . . . . 0.0 114.088 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.469 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -67.96 -33.7 75.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.519 1.928 . . . . 0.0 112.062 172.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.596 1.158 . . . . 0.0 109.578 167.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 CA-C-O 119.934 -0.37 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -129.33 97.65 4.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.469 HG13 ' HB1' ' A' ' 128' ' ' ALA . 14.9 t -66.08 129.26 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.67 -0.643 . . . . 0.0 109.606 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.86 92.09 4.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.104 0.954 . . . . 0.0 110.32 171.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -62.68 -24.09 67.46 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.395 -172.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.3 -33.97 77.05 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.466 1.03 . . . . 0.0 113.381 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.68 -39.73 43.91 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.44 -0.788 . . . . 0.0 110.806 169.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.88 -44.62 80.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.72 0.808 . . . . 0.0 113.067 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.33 -41.75 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.199 0.999 . . . . 0.0 111.702 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.02 -45.02 90.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.375 1.07 . . . . 0.0 112.428 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.6 ttp -64.69 -45.41 86.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.561 0.745 . . . . 0.0 112.378 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.8 ttp -66.53 -39.34 88.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.452 1.501 . . . . 0.0 111.924 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 81.8 p . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.276 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.3 tp60 . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.31 -47.93 77.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.45 1.5 . . . . 0.0 111.81 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.23 -29.35 70.45 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.7 m -93.31 -32.56 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 61.2 m -59.3 -41.03 88.01 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.728 1.211 . . . . 0.0 111.028 172.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -54.92 -44.63 74.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.76 -0.588 . . . . 0.0 110.942 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -60.77 -36.09 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.887 0.875 . . . . 0.0 112.134 -172.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.5 mt -58.71 -42.01 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 111.032 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.81 -40.13 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.396 1.078 . . . . 0.0 110.581 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.87 -42.33 99.72 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.293 1.406 . . . . 0.0 112.281 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -56.4 -55.64 31.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.692 1.197 . . . . 0.0 110.734 172.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.89 78.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.898 0.879 . . . . 0.0 112.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.85 -50.81 63.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.28 0.632 . . . . 0.0 111.934 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -63.26 -34.17 77.08 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.592 -0.692 . . . . 0.0 112.153 173.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -56.28 -45.91 79.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.046 0.938 . . . . 0.0 110.495 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -66.48 -40.87 89.54 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.782 0.833 . . . . 0.0 112.778 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 112.414 175.592 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.47 -43.79 76.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.12 0.968 . . . . 0.0 112.225 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -62.23 -44.64 96.12 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.332 0.653 . . . . 0.0 111.218 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.18 -44.36 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 110.64 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.8 81.71 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.687 0.795 . . . . 0.0 113.092 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -66.15 -46.59 76.95 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.262 -0.899 . . . . 0.0 112.004 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.5 -33.38 75.8 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.63 0.772 . . . . 0.0 112.316 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -52.91 -51.41 61.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.746 1.618 . . . . 0.0 110.997 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.44 -50.82 57.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 0.0 111.643 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.79 70.99 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.14 -50.99 16.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.153 0.981 . . . . 0.0 111.541 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -59.79 -26.38 65.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.559 1.143 . . . . 0.0 112.686 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.97 -22.14 14.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.699 1.6 . . . . 0.0 114.108 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 35' ' ' VAL . 53.8 m-85 -121.1 4.58 10.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.905 1.682 . . . . 0.0 113.179 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 CA--C 1.541 0.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.308 173.36 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.28 32.25 26.05 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.579 1.085 . . . . 0.0 113.679 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -138.75 159.09 42.95 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.206 1.402 . . . . 0.0 112.613 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -131.64 169.82 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.534 1.934 . . . . 0.0 110.39 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.8 p -82.35 157.88 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 112.049 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 p -60.7 -27.51 67.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.945 0.898 . . . . 0.0 112.53 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.47 -43.41 77.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.53 1.132 . . . . 0.0 112.663 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -80.8 -6.64 58.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -55.69 17.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.772 1.169 . . . . 0.0 111.112 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.27 72.98 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.23 -0.919 . . . . 0.0 113.204 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -67.38 -41.64 84.7 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.329 1.065 . . . . 0.0 111.488 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 19' ' ' PHE . 51.9 t -64.31 -40.91 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 110.874 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.1 mtp -64.1 -37.55 87.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.936 -1.103 . . . . 0.0 112.649 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -67.2 -34.08 76.75 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.234 1.014 . . . . 0.0 113.162 173.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 t -62.89 -35.86 81.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.356 0.663 . . . . 0.0 111.769 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.73 20.99 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.904 1.681 . . . . 0.0 114.257 170.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.49 2.21 63.09 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.045 1.307 . . . . 0.0 116.131 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.54 179.53 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.539 1.169 . . . . 0.0 110.447 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -159.76 77.05 2.89 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.087 -1.008 . . . . 0.0 110.045 166.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -68.22 154.99 70.99 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.122 3.214 . . . . 0.0 112.522 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.5 p -77.74 161.74 27.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.908 0.883 . . . . 0.0 111.956 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -57.35 -42.47 82.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.293 -0.879 . . . . 0.0 111.477 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.97 99.52 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.13 0.572 . . . . 0.0 112.298 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.5 -45.2 72.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.277 0.631 . . . . 0.0 112.212 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.65 -46.82 86.32 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.291 0.636 . . . . 0.0 111.467 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.13 -37.85 88.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.896 0.878 . . . . 0.0 112.177 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.55 -40.34 89.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.503 -0.748 . . . . 0.0 112.746 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.1 mtm -68.2 -41.79 80.83 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.21 -0.931 . . . . 0.0 111.925 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.98 -29.73 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.085 0.954 . . . . 0.0 111.836 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.0 -31.13 69.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.048 1.295 . . . . 0.0 112.817 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -85.1 -47.8 9.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.603 171.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -67.94 -39.67 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.643 1.177 . . . . 0.0 113.577 -175.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -116.27 45.17 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.166 1.786 . . . . 0.0 112.283 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -26.13 63.53 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -85.79 -5.46 59.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.914 1.285 . . . . 0.0 114.337 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.09 40.3 56.76 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.497 1.046 . . . . 0.0 115.3 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -76.44 -22.98 53.95 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.113 1.365 . . . . 0.0 113.215 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 16.92 78.11 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.743 1.64 . . . . 0.0 114.445 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.3 p -138.1 159.46 41.98 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.321 1.448 . . . . 0.0 113.596 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.8 mt -139.86 136.02 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 127.133 2.173 . . . . 0.0 108.78 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.03 156.77 18.65 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.784 0.72 . . . . 0.0 111.374 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.47 -54.05 20.72 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.53 -23.28 27.47 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.808 1.672 . . . . 0.0 113.46 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.43 -37.15 63.4 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.51 -0.744 . . . . 0.0 111.478 174.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.25 -41.49 98.49 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.489 -0.757 . . . . 0.0 111.99 171.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.71 -19.13 64.7 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -36.54 79.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.556 1.071 . . . . 0.0 112.755 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.83 -34.51 24.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.736 -0.602 . . . . 0.0 112.202 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.56 -36.71 83.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.961 0.504 . . . . 0.0 111.115 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 123.635 0.774 . . . . 0.0 112.647 174.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.36 -33.95 75.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.469 0.708 . . . . 0.0 112.198 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -68.11 -44.26 76.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.53 -0.731 . . . . 0.0 111.294 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.31 -47.28 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.842 0.857 . . . . 0.0 110.275 174.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -56.87 -47.85 79.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.272 0.629 . . . . 0.0 112.574 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -70.81 -38.66 73.33 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.186 0.903 . . . . 0.0 112.547 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.51 68.58 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.856 1.262 . . . . 0.0 113.13 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.15 -42.56 31.36 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.161 -0.962 . . . . 0.0 111.39 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -61.78 -28.48 69.48 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.316 -0.865 . . . . 0.0 113.208 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.57 -23.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -92.35 -23.07 19.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.174 1.39 . . . . 0.0 113.317 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 . . . . . 0 CA--C 1.55 0.947 0 C-N-CA 124.992 1.317 . . . . 0.0 109.484 169.378 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.508 0 N-CA-C 114.303 0.481 . . . . 0.0 114.303 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -155.4 166.01 34.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.553 1.941 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -121.48 150.81 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.264 1.425 . . . . 0.0 108.904 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -77.42 142.79 39.05 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.377 -1.452 . . . . 0.0 111.122 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.38 79.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.974 -1.079 . . . . 0.0 112.804 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.5 72.36 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -73.76 -44.65 55.53 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.643 0.777 . . . . 0.0 111.814 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.437 ' HA ' HG22 ' A' ' 108' ' ' VAL . 8.0 tp -69.51 -36.75 76.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.493 1.042 . . . . 0.0 111.096 175.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -62.71 -37.23 85.7 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.75 1.159 . . . . 0.0 111.898 169.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -60.63 -63.91 1.14 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.007 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 105' ' ' LEU . 2.8 m -57.78 -38.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 121.265 1.848 . . . . 0.0 113.119 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -76.07 -12.73 60.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 p -124.79 -6.58 7.38 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.689 1.195 . . . . 0.0 114.09 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -92.7 -24.64 18.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 112.777 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 mt -133.68 164.71 26.61 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.481 1.912 . . . . 0.0 109.917 -169.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.64 -153.75 51.07 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 173.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -78.97 51.19 1.1 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.531 1.932 . . . . 0.0 111.483 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -13.53 111.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.083 3.753 . . . . 0.0 114.81 -169.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.41 146.46 39.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.6 m -66.88 158.56 30.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.472 0.709 . . . . 0.0 110.087 171.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -52.48 -45.34 66.11 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.583 1.153 . . . . 0.0 113.556 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.09 -28.88 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.496 -0.753 . . . . 0.0 112.735 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.69 -43.8 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.604 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.43 -34.76 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 123.081 0.552 . . . . 0.0 111.194 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.16 -39.22 92.66 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.413 -0.805 . . . . 0.0 112.456 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -57.64 -44.44 85.62 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.941 0.896 . . . . 0.0 110.571 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.0 ttm -59.33 -47.01 87.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.152 0.981 . . . . 0.0 111.766 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.71 -47.43 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.606 1.094 . . . . 0.0 110.308 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -58.76 -26.65 64.2 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -107.71 -19.52 13.51 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.93 -28.85 21.25 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 125.55 1.54 . . . . 0.0 111.337 176.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 N-CA-C 114.374 0.51 . . . . 0.0 114.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -123.09 89.29 3.08 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.347 1.459 . . . . 0.0 109.506 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.06 107.92 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 124.322 1.049 . . . . 0.0 111.192 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -83.28 93.15 7.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.838 0.828 . . . . 0.0 110.395 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -64.84 -26.77 68.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.939 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.71 -34.49 73.96 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.738 1.154 . . . . 0.0 112.7 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -75.35 -39.71 58.99 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.276 -0.89 . . . . 0.0 110.596 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.51 -40.83 96.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.29 1.036 . . . . 0.0 113.423 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.02 -42.86 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.032 0.833 . . . . 0.0 111.484 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.62 -40.25 96.43 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.795 0.838 . . . . 0.0 112.06 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.9 ttp -65.9 -45.9 80.27 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.448 0.699 . . . . 0.0 112.434 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.5 mtm -67.77 -42.24 82.01 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 48.5 p . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.562 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.6 tp60 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -54.95 -48.66 72.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.381 1.472 . . . . 0.0 112.094 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.66 -26.95 66.46 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.6 m -94.4 -32.25 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.177 0.991 . . . . 0.0 111.848 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.6 m -58.07 -40.29 80.65 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.848 1.259 . . . . 0.0 111.401 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.98 77.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.761 0.425 . . . . 0.0 110.459 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.4 -37.24 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.474 0.709 . . . . 0.0 112.162 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -58.14 -43.48 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 110.731 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.78 -41.36 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.061 0.944 . . . . 0.0 111.002 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.99 -43.63 98.56 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.662 1.119 . . . . 0.0 112.526 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.02 -41.16 78.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.504 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.72 81.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.153 0.581 . . . . 0.0 112.173 169.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 53.4 t80 -69.91 -48.26 59.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.81 -31.7 72.75 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.011 -1.055 . . . . 0.0 112.041 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 46.1 tpt85 -63.96 -37.16 86.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.144 0.883 . . . . 0.0 112.069 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.0 t80 -71.22 -37.07 72.06 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 45.6 mt . . . . . 0 N--CA 1.471 0.621 0 O-C-N 121.371 -0.831 . . . . 0.0 112.554 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -71.26 -44.86 64.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.099 0.96 . . . . 0.0 111.901 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -62.35 -42.48 99.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.483 0.713 . . . . 0.0 111.04 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.0 mt -62.63 -43.59 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.509 -0.757 . . . . 0.0 111.044 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.61 76.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.666 1.121 . . . . 0.0 113.026 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.07 -45.34 85.71 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.79 -1.194 . . . . 0.0 111.576 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -68.1 -32.78 73.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -57.95 -50.24 74.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.803 1.641 . . . . 0.0 111.234 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.02 -49.79 71.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.199 0.599 . . . . 0.0 111.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.35 75.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -73.26 -48.2 36.76 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.308 0.958 . . . . 0.0 112.042 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -59.75 -25.25 64.71 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.333 1.053 . . . . 0.0 112.565 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.08 -20.79 10.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.773 1.629 . . . . 0.0 114.661 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 35' ' ' VAL . 26.7 m-85 -129.78 6.71 5.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.419 1.488 . . . . 0.0 112.983 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t0 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.157 0.983 . . . . 0.0 110.308 175.166 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.75 59.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.9 1.238 . . . . 0.0 113.913 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.4 p -141.96 148.93 39.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.621 1.211 . . . . 0.0 113.5 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 pt -120.64 172.41 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.239 2.216 . . . . 0.0 110.524 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -85.56 157.86 20.28 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.24 1.019 . . . . 0.0 112.248 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.444 ' HB ' HD13 ' A' ' 52' ' ' ILE . 25.6 p -61.39 -29.77 70.13 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -74.33 -35.0 63.61 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -18.7 57.32 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.258 174.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.6 -60.13 2.14 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.032 1.333 . . . . 0.0 111.656 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.9 -26.07 68.49 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.923 -0.376 . . . . 0.0 113.501 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 m -73.76 -36.86 65.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.261 1.031 . . . . 0.0 111.574 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.326 2.0 m -71.17 -30.67 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 121.631 -0.668 . . . . 0.0 111.594 170.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.2 mtp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.034 -1.041 . . . . 0.0 112.082 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -60.31 -38.77 84.73 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.157 0.983 . . . . 0.0 111.992 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -63.0 -29.97 71.24 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.626 0.77 . . . . 0.0 112.813 171.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.37 23.29 3.0 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.401 1.88 . . . . 0.0 113.992 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.38 27.63 65.38 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 168.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.27 139.02 22.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.096 1.448 . . . . 0.0 112.352 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -109.89 88.17 6.48 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 123.861 0.864 . . . . 0.0 110.869 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -66.4 152.53 80.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.489 2.792 . . . . 0.0 112.09 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -73.19 161.07 30.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.443 0.639 . . . . 0.0 111.691 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -60.01 -37.39 79.6 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.229 -0.92 . . . . 0.0 111.796 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.95 79.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.017 0.927 . . . . 0.0 112.568 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -65.36 -44.42 87.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.7 0.8 . . . . 0.0 111.719 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.65 -46.7 89.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.351 0.66 . . . . 0.0 111.42 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.29 -41.05 88.06 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.618 0.767 . . . . 0.0 112.278 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.45 -42.86 95.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.772 0.829 . . . . 0.0 112.352 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.0 mtm -66.99 -42.28 85.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.471 -0.768 . . . . 0.0 112.072 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.444 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.2 mt -67.84 -29.29 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.778 0.831 . . . . 0.0 111.714 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -62.62 -27.91 69.53 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.1 1.318 . . . . 0.0 113.024 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.3 -45.59 11.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.793 0.837 . . . . 0.0 112.459 171.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 t -71.17 -39.67 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.23 1.412 . . . . 0.0 113.473 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.58 48.32 1.3 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.124 1.77 . . . . 0.0 112.204 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -25.97 62.94 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -92.24 0.05 57.44 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.942 1.297 . . . . 0.0 114.221 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 41.15 70.68 Favored Glycine 0 CA--C 1.538 1.473 0 O-C-N 120.786 -1.196 . . . . 0.0 115.512 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -76.29 -22.77 54.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.144 1.378 . . . . 0.0 113.262 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.47 17.88 78.06 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.837 1.685 . . . . 0.0 114.374 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.1 p -139.58 160.52 39.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.125 1.37 . . . . 0.0 113.553 -173.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.29 135.81 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.613 1.965 . . . . 0.0 108.764 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.82 156.57 20.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.917 0.887 . . . . 0.0 112.434 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -46.54 -56.01 12.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.17 -22.23 30.49 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.783 1.656 . . . . 0.0 113.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -72.61 -38.67 67.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.835 0.743 . . . . 0.0 111.41 173.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.43 -40.42 96.52 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.381 -0.824 . . . . 0.0 112.244 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.81 -19.02 63.65 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -34.53 77.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.109 0.868 . . . . 0.0 112.96 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -83.92 -37.65 22.06 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.426 -0.796 . . . . 0.0 111.292 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.4 mmm -63.54 -21.26 66.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.994 0.918 . . . . 0.0 112.796 169.065 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.4 -32.94 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.952 0.901 . . . . 0.0 112.144 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -68.68 -46.8 68.11 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.615 0.766 . . . . 0.0 111.043 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.28 -46.87 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.12 0.968 . . . . 0.0 110.217 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.11 -43.59 95.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -72.16 -40.43 67.99 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.522 -0.736 . . . . 0.0 112.917 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -26.84 68.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.824 1.25 . . . . 0.0 112.957 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -76.07 -43.21 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.987 -1.071 . . . . 0.0 111.637 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -58.44 -31.56 67.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 0.0 113.346 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.53 -15.85 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 172.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.4 m-85 -98.71 -11.98 21.44 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.169 1.387 . . . . 0.0 113.694 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 119.291 0.951 . . . . 0.0 110.631 -179.397 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.308 0 N-CA-C 113.976 0.35 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.19 168.61 23.49 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.045 1.738 . . . . 0.0 109.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -127.67 138.02 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.917 1.287 . . . . 0.0 109.208 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -66.77 140.32 57.84 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.898 -1.126 . . . . 0.0 110.734 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.81 87.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.902 -1.124 . . . . 0.0 112.817 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.54 70.81 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.694 0.797 . . . . 0.0 112.91 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -75.24 -42.71 54.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.878 0.871 . . . . 0.0 111.872 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.8 -40.64 83.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.618 0.645 . . . . 0.0 110.461 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -59.62 -40.39 87.41 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.036 0.835 . . . . 0.0 112.081 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -57.46 -62.62 1.65 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.967 0.803 . . . . 0.0 110.622 172.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.683 HG23 HD12 ' A' ' 112' ' ' LEU . 14.5 p -65.61 -35.33 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.085 0.857 . . . . 0.0 112.884 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mmt -69.17 -14.68 63.12 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.2 p -118.5 -3.23 10.93 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.13 -44.35 6.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.109 1.763 . . . . 0.0 112.223 172.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.683 HD12 HG23 ' A' ' 108' ' ' VAL . 18.1 mt -122.23 140.12 52.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 112.048 -167.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.33 -146.73 32.06 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 114.636 0.614 . . . . 0.0 114.636 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.97 23.2 0.14 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -170.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 24.91 100.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.424 3.49 . . . . 0.0 115.159 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.43 144.27 47.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.659 0.784 . . . . 0.0 111.288 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.78 160.65 27.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.739 0.816 . . . . 0.0 110.072 171.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -56.13 -45.13 79.67 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.757 -1.214 . . . . 0.0 113.553 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -72.61 -25.68 61.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.145 -0.972 . . . . 0.0 112.786 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.08 -42.03 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.734 1.614 . . . . 0.0 111.863 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.98 -34.47 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.653 0.781 . . . . 0.0 110.869 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -65.12 -42.77 93.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.375 0.67 . . . . 0.0 111.592 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -56.07 -42.84 77.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.462 0.705 . . . . 0.0 111.227 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.05 -50.38 71.12 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.025 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.2 mm -61.13 -34.04 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 120.503 1.501 . . . . 0.0 111.608 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -57.45 -34.68 69.24 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.425 1.466 . . . . 0.0 113.485 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.11 -19.76 12.93 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.514 1.526 . . . . 0.0 113.912 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -82.8 -33.71 27.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.885 . . . . 0.0 112.926 173.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.627 1.171 . . . . 0.0 112.84 178.05 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.269 0 N-CA-C 114.481 0.552 . . . . 0.0 114.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.93 100.68 6.71 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.257 1.423 . . . . 0.0 110.319 -177.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.632 HG13 ' HB1' ' A' ' 128' ' ' ALA . 20.1 t -78.04 124.4 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.323 0.649 . . . . 0.0 110.603 173.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -93.33 98.27 11.14 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.173 0.987 . . . . 0.0 110.496 169.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -68.71 -26.27 65.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.491 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.04 -30.22 64.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.88 1.218 . . . . 0.0 112.066 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -75.11 -42.18 56.99 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 167.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.25 -44.37 95.35 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.605 1.162 . . . . 0.0 113.467 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.08 -47.93 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.863 0.865 . . . . 0.0 111.271 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -63.49 -34.65 78.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.488 0.715 . . . . 0.0 112.396 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.8 ttp -68.76 -45.69 70.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.423 0.689 . . . . 0.0 112.446 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.98 -40.22 94.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.066 0.848 . . . . 0.0 112.344 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 64.2 p . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.418 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.97 -46.85 75.11 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.002 1.321 . . . . 0.0 112.284 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.488 ' HA ' HD13 ' A' ' 112' ' ' LEU . 93.2 mt-10 -71.14 -18.88 62.49 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -175.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.6 m -103.92 -31.42 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.713 1.205 . . . . 0.0 111.907 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.1 m -57.01 -39.88 75.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.341 1.457 . . . . 0.0 111.747 172.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.74 77.82 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 110.146 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 98.4 mt -63.78 -39.05 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 120.846 -1.159 . . . . 0.0 112.076 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.3 mt -58.74 -42.02 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.204 1.001 . . . . 0.0 110.848 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.83 -39.68 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.191 0.996 . . . . 0.0 111.324 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -58.37 -46.34 86.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.747 1.158 . . . . 0.0 111.442 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -59.15 -53.33 59.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.105 1.362 . . . . 0.0 111.212 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.61 74.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.589 0.755 . . . . 0.0 112.782 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.8 t80 -70.88 -49.42 46.2 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.841 -0.537 . . . . 0.0 112.257 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -62.65 -33.61 75.39 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.537 1.062 . . . . 0.0 111.939 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -58.54 -45.81 88.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.002 0.921 . . . . 0.0 110.783 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -70.88 -31.44 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.266 1.426 . . . . 0.0 114.519 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 119.817 1.19 . . . . 0.0 112.207 175.008 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.68 -43.63 75.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.149 0.98 . . . . 0.0 112.246 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -63.73 -44.62 93.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.342 0.657 . . . . 0.0 111.292 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.73 -42.42 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.319 0.648 . . . . 0.0 110.561 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.63 87.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.198 0.908 . . . . 0.0 112.953 176.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.16 -41.17 86.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 112.024 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -68.53 -33.54 74.3 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.192 -0.942 . . . . 0.0 112.006 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -56.93 -53.05 62.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.524 1.529 . . . . 0.0 110.996 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.44 -26.74 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -43.01 64.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.881 0.872 . . . . 0.0 112.729 169.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.77 -48.22 40.14 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.345 -0.847 . . . . 0.0 112.587 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -63.35 -14.41 49.73 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.21 -20.96 61.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.802 1.241 . . . . 0.0 113.857 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' HG12 ' A' ' 35' ' ' VAL . 38.1 m-85 -123.75 -4.64 8.13 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 -177.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 t0 . . . . . 0 CA--C 1.546 0.789 0 O-C-N 121.436 -0.79 . . . . 0.0 109.683 171.415 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 34.3 21.9 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.726 1.155 . . . . 0.0 113.973 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -139.49 155.95 47.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.529 1.164 . . . . 0.0 113.491 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.9 pt -131.32 169.89 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 127.008 2.123 . . . . 0.0 110.734 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 p -81.98 158.38 23.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 122.274 1.035 . . . . 0.0 112.667 168.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.422 ' HB ' HD13 ' A' ' 52' ' ' ILE . 25.2 p -61.38 -26.77 68.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.235 1.014 . . . . 0.0 112.589 171.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -68.7 -39.73 80.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 112.388 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.44 -18.77 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.6 -59.21 3.15 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.584 1.154 . . . . 0.0 111.629 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.25 -25.59 69.88 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 122.071 -0.393 . . . . 0.0 113.515 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.43 -39.45 71.06 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.222 1.011 . . . . 0.0 111.349 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.615 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.328 2.0 m -72.85 -28.79 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 O-C-N 121.304 -0.873 . . . . 0.0 111.761 172.519 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.5 mtp -66.52 -39.74 88.79 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.768 -1.208 . . . . 0.0 111.826 168.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.95 -36.35 79.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.953 0.901 . . . . 0.0 112.274 173.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 t -62.22 -34.8 77.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.683 0.793 . . . . 0.0 112.18 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.9 27.93 0.52 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.534 1.934 . . . . 0.0 114.07 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.75 14.8 70.55 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 116.708 1.443 . . . . 0.0 116.708 168.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -139.0 129.64 26.0 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.11 1.455 . . . . 0.0 112.11 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -104.84 93.59 6.42 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.694 1.198 . . . . 0.0 110.227 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.03 157.34 62.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.635 2.89 . . . . 0.0 113.02 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -73.71 151.61 40.66 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.732 1.213 . . . . 0.0 110.877 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -64.49 -36.16 83.28 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.991 -1.693 . . . . 0.0 113.37 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.66 72.1 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.705 0.802 . . . . 0.0 112.679 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -66.12 -45.2 81.95 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.577 1.151 . . . . 0.0 110.984 173.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.74 -45.21 92.92 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.611 0.764 . . . . 0.0 111.758 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.66 -41.11 89.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.656 0.662 . . . . 0.0 112.158 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.5 -45.02 80.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.497 0.719 . . . . 0.0 112.234 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtm -65.4 -32.43 74.05 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 112.783 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD13 ' HB ' ' A' ' 29' ' ' THR . 58.7 mt -73.28 -36.06 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -61.0 -30.97 70.6 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.814 1.643 . . . . 0.0 112.676 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.62 -17.39 61.17 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 172.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.93 -49.86 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.33 1.452 . . . . 0.0 113.488 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -102.47 49.07 0.85 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.647 1.979 . . . . 0.0 112.133 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -22.37 65.27 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.921 -1.112 . . . . 0.0 113.09 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.84 -14.97 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.784 1.233 . . . . 0.0 113.719 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.52 67.31 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.915 1.245 . . . . 0.0 115.125 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -77.0 -17.7 58.68 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.609 1.205 . . . . 0.0 113.789 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.89 19.29 73.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.386 1.469 . . . . 0.0 114.561 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -136.05 160.38 38.8 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.947 1.299 . . . . 0.0 113.804 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.5 mt -141.11 137.45 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.218 2.207 . . . . 0.0 108.692 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.25 156.62 18.17 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.846 0.748 . . . . 0.0 111.483 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -47.24 -54.84 18.53 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.05 -22.77 30.31 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.81 1.673 . . . . 0.0 113.302 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.69 -34.15 62.58 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.579 -0.701 . . . . 0.0 111.711 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -63.22 -42.19 99.23 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.446 -0.784 . . . . 0.0 111.88 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.35 -19.76 64.92 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -35.83 80.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.056 0.843 . . . . 0.0 112.947 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ptp -84.01 -33.25 24.58 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.639 -0.663 . . . . 0.0 111.853 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.6 mmm -62.45 -35.67 80.03 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.674 -0.641 . . . . 0.0 111.309 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 124.038 0.935 . . . . 0.0 113.503 170.887 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -67.67 -36.25 80.35 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.592 0.757 . . . . 0.0 111.625 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -42.94 80.87 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.11 0.964 . . . . 0.0 111.067 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.46 -47.23 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.076 0.951 . . . . 0.0 110.604 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -58.06 -45.39 87.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.237 0.926 . . . . 0.0 111.847 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -65.09 -45.51 84.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.318 0.647 . . . . 0.0 112.243 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.39 89.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.78 1.232 . . . . 0.0 112.464 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -66.05 -42.45 89.52 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.204 -0.935 . . . . 0.0 112.281 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.5 -21.75 66.76 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.286 -0.884 . . . . 0.0 113.307 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -68.74 -23.51 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.558 1.543 . . . . 0.0 112.519 168.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -97.47 -24.97 15.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.176 1.39 . . . . 0.0 113.589 174.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.232 1.013 . . . . 0.0 109.9 175.211 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.272 0 N-CA-C 113.135 0.014 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.46 164.06 38.31 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.844 1.257 . . . . 0.0 111.559 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.66 139.11 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.99 1.716 . . . . 0.0 108.781 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -66.99 139.66 57.69 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.586 -1.321 . . . . 0.0 111.303 172.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.92 82.33 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.179 -0.95 . . . . 0.0 112.591 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.34 72.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.625 0.77 . . . . 0.0 112.973 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -74.73 -42.29 58.57 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.403 -0.81 . . . . 0.0 111.881 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.29 -40.21 86.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.089 0.859 . . . . 0.0 110.82 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.48 -38.67 90.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.81 0.844 . . . . 0.0 112.234 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -57.28 -63.48 1.21 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.026 0.531 . . . . 0.0 110.167 171.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.734 HG23 HD12 ' A' ' 112' ' ' LEU . 13.7 p -64.36 -37.51 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.867 0.758 . . . . 0.0 112.7 -172.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.4 mmt -68.36 -16.69 64.02 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 p -113.87 5.27 16.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 170.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -109.63 -39.56 5.1 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.924 1.29 . . . . 0.0 113.122 174.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.734 HD12 HG23 ' A' ' 108' ' ' VAL . 34.6 mt -125.66 139.45 53.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 111.224 -168.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.85 -150.83 38.31 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-O 121.962 0.757 . . . . 0.0 114.41 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.17 16.19 0.26 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -168.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.04 107.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 129.606 3.162 . . . . 0.0 114.815 -176.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.56 136.9 56.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.06 -1.025 . . . . 0.0 109.194 168.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -64.82 161.93 17.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.727 1.211 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.89 -44.38 29.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.457 1.503 . . . . 0.0 114.499 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.61 -29.66 27.56 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.139 0.976 . . . . 0.0 113.024 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.08 -40.82 67.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.997 1.719 . . . . 0.0 112.387 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.32 -30.67 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.572 -0.705 . . . . 0.0 111.072 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.19 -37.63 63.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.15 0.98 . . . . 0.0 112.038 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -56.82 -40.89 76.84 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.104 1.362 . . . . 0.0 110.075 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -59.02 -55.98 28.12 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.985 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.65 -40.06 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 120.967 1.712 . . . . 0.0 111.007 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -62.23 -14.2 35.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.6 -13.49 7.51 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -83.79 -25.31 30.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.866 2.466 . . . . 0.0 113.34 170.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -170.732 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 116.324 1.289 . . . . 0.0 116.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -108.23 140.82 40.9 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.557 1.178 . . . . 0.0 111.108 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.463 HG13 ' HB1' ' A' ' 128' ' ' ALA . 3.3 t -114.31 131.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.456 1.902 . . . . 0.0 109.404 171.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -100.11 93.57 5.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 123.064 1.411 . . . . 0.0 112.69 171.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -60.19 -27.95 67.57 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.345 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.77 -24.87 66.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.198 0.908 . . . . 0.0 113.094 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -90.59 -36.88 14.18 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.499 -0.75 . . . . 0.0 111.387 167.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.59 -42.8 93.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.193 0.997 . . . . 0.0 112.784 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.86 -50.69 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.367 1.067 . . . . 0.0 111.831 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -64.18 -37.18 86.54 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.836 0.744 . . . . 0.0 111.793 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.38 -44.69 90.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.127 0.571 . . . . 0.0 112.11 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.0 mtm -65.99 -41.3 91.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.544 0.611 . . . . 0.0 112.566 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -177.002 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 66.9 tp60 . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.41 -43.88 75.69 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.922 1.289 . . . . 0.0 112.054 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 46.8 tt0 -66.84 -24.87 66.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.5 m -101.15 -30.1 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.529 1.132 . . . . 0.0 112.307 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.7 m -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.945 1.298 . . . . 0.0 110.691 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.58 84.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.539 0.736 . . . . 0.0 110.469 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -39.39 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.858 -1.151 . . . . 0.0 112.003 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -58.23 -43.93 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.568 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -72.99 -41.06 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.454 1.102 . . . . 0.0 111.406 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -55.52 -46.67 76.99 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.718 1.145 . . . . 0.0 111.215 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -68.63 -46.99 67.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.687 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.15 78.01 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.57 -49.99 55.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.814 -0.554 . . . . 0.0 112.066 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.92 -26.54 68.64 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.46 -0.775 . . . . 0.0 112.928 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -63.88 -46.47 84.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.854 1.262 . . . . 0.0 111.103 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.8 -33.16 75.0 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.794 1.238 . . . . 0.0 113.53 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 35.7 mt . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.078 -1.014 . . . . 0.0 113.167 175.236 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.78 -50.7 72.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.052 1.341 . . . . 0.0 111.869 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.71 -44.06 87.25 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.205 1.002 . . . . 0.0 110.895 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.82 -43.74 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.655 0.782 . . . . 0.0 110.884 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.56 76.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.616 1.098 . . . . 0.0 112.974 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.3 -43.31 91.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.907 -1.121 . . . . 0.0 111.516 172.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -66.58 -33.82 76.52 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 0.0 112.516 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -59.2 -48.81 80.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.448 1.499 . . . . 0.0 110.943 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -47.88 78.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.784 0.834 . . . . 0.0 112.049 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.24 77.94 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.836 1.051 . . . . 0.0 113.836 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.45 -51.13 13.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.505 1.048 . . . . 0.0 112.321 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.8 p -63.39 -16.93 61.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.39 -22.92 21.87 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.194 1.398 . . . . 0.0 114.25 170.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 35' ' ' VAL . 40.9 m-85 -123.99 2.0 8.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.305 1.442 . . . . 0.0 113.479 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.5 t0 . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 121.517 0.675 . . . . 0.0 110.366 175.025 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.13 33.69 19.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.454 1.026 . . . . 0.0 113.61 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -140.33 158.07 44.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.56 1.144 . . . . 0.0 113.693 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.33 169.7 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 127.421 2.289 . . . . 0.0 110.004 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -87.12 162.78 17.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.984 -1.073 . . . . 0.0 113.138 169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -58.58 -24.76 61.57 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.544 1.138 . . . . 0.0 112.618 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.47 -38.65 59.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.693 1.197 . . . . 0.0 112.789 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.79 -23.26 58.47 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.72 -61.78 1.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.107 1.363 . . . . 0.0 112.428 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -22.43 70.22 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 121.938 -0.476 . . . . 0.0 113.768 -177.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -71.68 -41.16 69.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.205 1.002 . . . . 0.0 110.646 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.31 1.4 m -71.64 -30.19 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.409 -0.807 . . . . 0.0 111.937 174.335 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.81 -39.47 93.63 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.005 -1.059 . . . . 0.0 111.826 168.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.31 -32.38 73.75 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.939 0.896 . . . . 0.0 113.225 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -62.89 -30.14 71.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.366 0.666 . . . . 0.0 112.373 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.67 17.62 3.84 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.118 1.767 . . . . 0.0 113.846 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 2.86 59.64 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.78 1.181 . . . . 0.0 115.54 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -81.02 176.39 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.254 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -159.71 79.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 121.13 -0.981 . . . . 0.0 109.952 166.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -66.93 152.25 80.71 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.857 3.038 . . . . 0.0 112.249 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -74.14 164.32 26.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.687 0.795 . . . . 0.0 111.886 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.98 -38.18 78.53 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.324 -0.86 . . . . 0.0 111.82 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.56 80.52 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.092 0.957 . . . . 0.0 112.687 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.81 -48.05 82.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.787 0.835 . . . . 0.0 111.624 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.28 -46.12 90.95 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.929 -0.482 . . . . 0.0 111.577 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.3 -41.26 93.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.636 0.653 . . . . 0.0 112.263 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.61 -41.14 93.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.811 0.732 . . . . 0.0 112.59 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -68.41 -40.65 81.19 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.477 -0.765 . . . . 0.0 112.018 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.88 -32.51 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.424 1.09 . . . . 0.0 111.722 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.2 -34.14 70.05 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.389 1.45 . . . . 0.0 113.479 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -80.11 -40.99 26.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.602 0.761 . . . . 0.0 112.814 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.67 -47.76 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.375 1.07 . . . . 0.0 112.678 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.87 31.25 1.09 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.011 2.125 . . . . 0.0 112.868 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.91 68.06 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.773 -1.204 . . . . 0.0 113.455 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.1 -5.52 59.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.699 1.199 . . . . 0.0 113.792 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.92 79.44 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 120.858 -1.152 . . . . 0.0 115.218 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.14 -18.17 59.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.215 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.14 11.41 79.2 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.629 1.585 . . . . 0.0 115.656 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.9 p -133.57 160.31 37.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.197 1.399 . . . . 0.0 113.306 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.2 mt -138.64 133.63 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 126.695 1.998 . . . . 0.0 108.077 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.09 157.31 19.43 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.628 0.649 . . . . 0.0 111.317 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -46.84 -54.31 20.64 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.67 -21.11 29.72 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.808 1.672 . . . . 0.0 113.453 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -74.8 -38.19 62.17 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.443 -0.785 . . . . 0.0 111.534 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -59.22 -41.14 87.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.434 -0.791 . . . . 0.0 111.684 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.81 -18.69 64.37 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -39.47 90.25 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.315 0.961 . . . . 0.0 112.582 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.19 -31.87 24.87 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.62 -0.675 . . . . 0.0 112.151 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.4 mmm -64.5 -37.43 87.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.961 0.504 . . . . 0.0 111.17 177.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 118.845 0.748 . . . . 0.0 113.006 173.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -72.3 -27.3 62.37 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.41 -0.806 . . . . 0.0 112.763 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.77 -48.65 71.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.278 0.631 . . . . 0.0 110.794 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.415 HG22 HG22 ' A' ' 142' ' ' VAL . 68.7 mt -59.83 -47.22 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.149 1.38 . . . . 0.0 110.093 175.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.254 0.622 . . . . 0.0 112.67 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -71.2 -39.39 71.8 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.687 0.676 . . . . 0.0 112.261 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.62 76.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.957 0.903 . . . . 0.0 112.419 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.65 -43.45 76.21 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 120.938 -1.101 . . . . 0.0 112.548 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -59.51 -26.63 65.47 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.724 0.81 . . . . 0.0 113.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.5 t -64.81 -25.79 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 126.067 1.747 . . . . 0.0 113.232 170.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.6 m-85 -97.22 -18.82 19.01 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.932 1.293 . . . . 0.0 113.864 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 124.398 1.079 . . . . 0.0 110.72 178.023 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.306 0 N-CA-C 114.113 0.405 . . . . 0.0 114.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.26 165.55 30.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.003 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 mt -130.48 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.645 1.578 . . . . 0.0 108.831 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 m -65.35 142.01 58.37 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.578 -1.326 . . . . 0.0 111.113 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.64 89.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.02 -1.05 . . . . 0.0 112.405 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.91 73.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.509 0.723 . . . . 0.0 112.938 173.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -71.72 -46.9 57.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.817 0.847 . . . . 0.0 111.645 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.43 -41.34 84.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.959 0.8 . . . . 0.0 111.11 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -59.96 -40.72 90.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.895 0.878 . . . . 0.0 111.942 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -58.41 -62.6 1.72 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.122 0.569 . . . . 0.0 110.581 171.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.713 HG23 HD12 ' A' ' 112' ' ' LEU . 13.9 p -64.85 -35.21 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 0.0 112.69 -171.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.57 -15.62 63.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.4 p -120.29 4.15 10.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -109.45 -38.31 5.5 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 126.078 1.751 . . . . 0.0 112.675 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.713 HD12 HG23 ' A' ' 108' ' ' VAL . 23.9 mt -126.3 145.53 50.38 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.841 1.256 . . . . 0.0 110.893 -169.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.98 -148.55 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 114.4 0.52 . . . . 0.0 114.4 -173.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.34 -9.26 58.27 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -172.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 61.5 134.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 129.229 3.012 . . . . 0.0 113.484 -172.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.17 146.73 27.69 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.892 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.74 161.6 23.2 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.053 0.941 . . . . 0.0 110.588 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -49.47 -47.52 48.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.497 1.519 . . . . 0.0 114.187 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.87 -24.83 35.52 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.656 0.782 . . . . 0.0 112.923 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.28 -41.69 73.07 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.242 1.417 . . . . 0.0 111.949 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.84 -33.22 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.399 0.68 . . . . 0.0 111.629 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -71.5 -26.73 62.8 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.291 -0.881 . . . . 0.0 112.093 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -66.96 -33.32 75.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.223 1.009 . . . . 0.0 111.663 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.1 ttm -66.7 -53.18 36.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.298 0.639 . . . . 0.0 110.579 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.09 -35.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 119.15 0.886 . . . . 0.0 112.03 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -58.29 -31.44 67.49 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -112.06 -24.42 9.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.834 1.254 . . . . 0.0 113.446 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.447 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -70.89 -37.71 73.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.373 1.869 . . . . 0.0 111.946 171.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 61.7 t0 . . . . . 0 CA--C 1.542 0.657 0 O-C-N 120.941 -1.099 . . . . 0.0 110.81 169.484 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.245 0 N-CA-C 113.763 0.265 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -128.25 92.3 3.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.998 1.719 . . . . 0.0 109.855 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.447 HG13 ' HB1' ' A' ' 128' ' ' ALA . 9.6 t -66.07 127.07 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.614 -0.679 . . . . 0.0 109.883 172.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.67 97.14 9.12 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.979 0.895 . . . . 0.0 110.239 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 142' ' ' VAL . 4.9 p90 -66.95 -29.37 69.22 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.241 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.06 -42.87 91.34 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.582 1.537 . . . . 0.0 112.778 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -75.23 -40.07 59.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.434 0.694 . . . . 0.0 112.372 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 4.1 t80 -61.93 -39.95 93.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 138' ' ' TYR . 96.8 t -50.65 -59.54 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.721 1.208 . . . . 0.0 109.283 172.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -71.1 -29.17 64.95 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.955 -166.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.6 ttp -65.97 -48.85 69.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.025 1.33 . . . . 0.0 111.832 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.4 ttp -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.073 1.349 . . . . 0.0 112.491 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 174.278 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -56.99 -45.94 82.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.853 1.261 . . . . 0.0 112.667 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.499 ' HG2' HD22 ' A' ' 112' ' ' LEU . 93.8 mt-10 -71.23 -17.48 62.5 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.4 m -105.46 -30.62 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.787 1.235 . . . . 0.0 112.272 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.3 m -56.98 -40.1 75.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.713 1.205 . . . . 0.0 111.219 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.0 78.71 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.586 0.755 . . . . 0.0 110.675 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.48 -42.37 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.26 -0.9 . . . . 0.0 111.457 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.32 -42.79 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.077 0.951 . . . . 0.0 111.163 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.89 -37.67 73.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.144 0.978 . . . . 0.0 110.48 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.01 -43.72 95.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.558 1.072 . . . . 0.0 112.306 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -59.59 -49.12 78.98 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.69 0.796 . . . . 0.0 111.042 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.018 0.927 . . . . 0.0 113.229 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.18 -49.26 72.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.191 -0.318 . . . . 0.0 111.792 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.77 -29.66 70.2 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.399 -0.813 . . . . 0.0 112.459 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -58.96 -44.74 91.51 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.774 1.17 . . . . 0.0 110.838 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -66.49 -41.86 88.29 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.202 0.601 . . . . 0.0 112.53 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.402 174.512 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.4 -49.13 70.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.148 0.979 . . . . 0.0 112.553 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -64.6 -43.97 92.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.97 -42.94 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.816 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.16 90.04 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.229 0.922 . . . . 0.0 112.625 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.19 -46.03 82.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.213 -0.93 . . . . 0.0 111.893 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.0 -34.62 78.52 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.314 0.646 . . . . 0.0 112.498 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -56.7 -51.78 67.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.449 1.5 . . . . 0.0 111.161 175.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.09 -45.49 88.45 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.821 0.848 . . . . 0.0 112.04 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.72 74.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -74.82 -49.95 18.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.538 1.063 . . . . 0.0 112.422 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -62.9 -17.47 61.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.76 0.824 . . . . 0.0 113.047 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.64 -20.73 35.38 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.597 1.559 . . . . 0.0 114.257 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' HG12 ' A' ' 35' ' ' VAL . 20.5 m-85 -132.22 11.34 4.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.249 1.42 . . . . 0.0 113.166 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 CA--C 1.541 0.623 0 O-C-N 121.487 -0.758 . . . . 0.0 111.309 -174.54 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.14 34.83 7.36 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.672 -1.071 . . . . 0.0 115.122 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -137.76 152.58 49.33 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.3 1.55 . . . . 0.0 113.455 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 pt -125.83 169.21 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 126.514 1.926 . . . . 0.0 110.279 172.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -83.94 159.37 21.29 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.138 0.971 . . . . 0.0 112.23 169.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' HD13 ' A' ' 52' ' ' ILE . 34.1 p -60.65 -26.83 67.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.091 0.956 . . . . 0.0 112.361 169.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -71.46 -42.33 68.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 0.0 112.618 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -75.77 -14.53 60.32 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.36 -58.97 3.24 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.505 1.122 . . . . 0.0 111.804 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.69 -28.53 73.71 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.984 -0.448 . . . . 0.0 113.457 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -65.42 -38.41 89.85 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.126 0.963 . . . . 0.0 111.092 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.575 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.317 1.5 m -75.1 -35.07 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.314 172.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.0 mtp -58.91 -38.27 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.764 1.62 . . . . 0.0 112.163 170.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.9 -30.48 70.91 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.138 0.975 . . . . 0.0 112.822 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.9 t -67.07 -33.67 76.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.827 0.851 . . . . 0.0 112.502 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.28 5.5 8.43 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.086 0.954 . . . . 0.0 113.108 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 37.91 52.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 120.783 -1.198 . . . . 0.0 113.921 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -143.49 133.08 23.61 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.239 1.02 . . . . 0.0 111.127 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -114.95 87.85 15.92 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.624 1.17 . . . . 0.0 111.407 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -69.49 154.73 68.42 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.607 2.871 . . . . 0.0 112.513 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -82.82 166.45 18.98 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.634 -0.666 . . . . 0.0 112.542 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -62.41 -42.52 99.5 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.558 -1.339 . . . . 0.0 113.215 -175.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.71 -34.83 77.66 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.66 -0.65 . . . . 0.0 112.486 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -68.19 -42.42 79.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.01 -48.25 82.7 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.532 0.733 . . . . 0.0 111.339 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.49 -34.77 77.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.9 -37.85 89.01 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.052 0.842 . . . . 0.0 112.474 175.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -71.1 -41.36 70.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.352 -0.843 . . . . 0.0 111.699 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.42 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.7 mt -66.09 -27.24 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.856 0.862 . . . . 0.0 111.888 177.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -57.99 -34.86 70.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.085 1.312 . . . . 0.0 112.336 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -87.53 -40.44 14.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.952 0.901 . . . . 0.0 112.35 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -73.81 -38.16 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.128 1.371 . . . . 0.0 113.264 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -123.63 51.85 1.47 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.148 1.779 . . . . 0.0 112.423 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.8 63.17 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.251 -0.905 . . . . 0.0 113.34 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.05 -19.92 58.2 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.004 1.322 . . . . 0.0 113.835 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.71 30.11 70.84 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.376 0.989 . . . . 0.0 114.021 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -18.79 58.23 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.439 1.496 . . . . 0.0 113.202 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.13 79.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.946 1.736 . . . . 0.0 115.88 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.9 p -134.87 159.14 42.35 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.159 1.479 . . . . 0.0 114.029 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.0 mt -138.8 135.79 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.466 2.306 . . . . 0.0 108.461 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.36 157.4 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.929 0.786 . . . . 0.0 111.512 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -46.3 -56.21 11.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.523 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -68.93 -21.38 37.55 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.115 1.877 . . . . 0.0 113.587 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -74.05 -39.22 63.65 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.474 -0.766 . . . . 0.0 111.373 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.34 -39.18 89.61 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.396 -0.815 . . . . 0.0 112.233 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.22 -22.82 63.48 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -37.84 88.06 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.836 0.744 . . . . 0.0 112.629 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.91 -36.08 23.6 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.9 -0.5 . . . . 0.0 111.367 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.8 mmm -62.41 -28.0 69.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.252 0.933 . . . . 0.0 113.053 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 123.587 0.755 . . . . 0.0 112.408 169.085 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.76 -35.01 79.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.379 0.672 . . . . 0.0 112.049 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.36 -46.44 76.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.529 0.731 . . . . 0.0 111.451 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.6 mt -60.21 -46.27 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.96 0.904 . . . . 0.0 110.172 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -64.78 -38.19 90.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.953 0.901 . . . . 0.0 112.515 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.8 -43.84 71.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.236 1.015 . . . . 0.0 112.568 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.48 67.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.742 1.217 . . . . 0.0 113.241 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -76.78 -37.69 55.38 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.125 -0.984 . . . . 0.0 111.424 168.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.98 72.88 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.081 -1.012 . . . . 0.0 112.956 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.85 -11.4 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -105.57 -12.81 15.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.81 1.644 . . . . 0.0 113.778 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 124.718 1.207 . . . . 0.0 110.5 -175.789 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 CA-C-O 120.977 0.21 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.92 164.71 32.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -128.69 135.93 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.389 1.476 . . . . 0.0 108.877 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -68.18 147.04 52.82 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 120.583 -1.323 . . . . 0.0 112.112 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.92 -41.54 87.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.433 -0.792 . . . . 0.0 112.691 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.67 70.72 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.16 -48.22 45.06 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.96 0.904 . . . . 0.0 111.543 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.35 -35.73 76.19 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.662 0.664 . . . . 0.0 111.434 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -59.98 -42.75 94.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.614 1.097 . . . . 0.0 111.15 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.04 -59.51 5.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.882 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 m -58.37 -39.84 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 120.63 1.559 . . . . 0.0 111.984 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.25 -15.09 59.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -110.99 1.78 17.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -108.89 -27.62 9.61 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 176.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 mt -134.6 140.61 46.21 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.725 1.21 . . . . 0.0 110.696 -169.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.02 -146.0 26.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 114.83 0.692 . . . . 0.0 114.83 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.98 -17.59 63.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 60.55 119.6 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.792 2.837 . . . . 0.0 112.705 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.0 mt -78.14 147.8 34.41 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.433 -0.792 . . . . 0.0 110.953 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -68.2 161.09 27.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.472 1.109 . . . . 0.0 110.552 172.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -54.46 -43.89 72.09 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.21 -23.04 35.63 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.186 -0.946 . . . . 0.0 112.774 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -75.17 -40.84 59.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.367 1.467 . . . . 0.0 112.1 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.14 -33.82 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.27 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -69.91 -35.06 74.28 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.387 -0.821 . . . . 0.0 112.294 171.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.92 -33.6 73.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.919 0.782 . . . . 0.0 111.348 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -64.8 -55.4 19.87 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.594 172.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -56.91 -37.67 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.621 1.101 . . . . 0.0 111.487 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -55.73 -33.66 64.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.57 1.148 . . . . 0.0 114.046 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -110.39 -19.03 13.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.062 1.345 . . . . 0.0 114.431 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -82.11 -34.01 29.47 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.318 1.847 . . . . 0.0 113.012 175.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.7 t0 . . . . . 0 N--CA 1.473 0.7 0 C-N-CA 124.634 1.173 . . . . 0.0 111.52 175.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.306 0 N-CA-C 115.101 0.8 . . . . 0.0 115.101 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -125.41 103.18 7.77 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.0 1.4 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.573 HG13 ' HB1' ' A' ' 128' ' ' ALA . 27.0 t -71.46 123.33 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 110.427 171.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.66 99.97 12.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.136 0.969 . . . . 0.0 109.433 168.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.96 -24.82 63.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.911 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.47 -31.79 69.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.945 1.248 . . . . 0.0 112.174 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.78 -42.01 58.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.591 -0.693 . . . . 0.0 110.532 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.56 -40.33 92.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.294 1.038 . . . . 0.0 113.685 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.25 -43.27 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.179 -0.951 . . . . 0.0 111.599 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.986 0.914 . . . . 0.0 112.079 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.4 ttp -69.4 -48.49 60.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.675 0.79 . . . . 0.0 112.698 173.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.48 -38.9 92.9 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.436 -0.79 . . . . 0.0 112.3 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.7 -45.66 74.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 112.247 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -67.39 -26.17 66.32 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.4 m -98.56 -32.58 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.694 1.198 . . . . 0.0 111.823 -175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -57.51 -40.1 77.96 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.167 1.387 . . . . 0.0 111.395 170.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.76 70.07 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.904 -0.497 . . . . 0.0 111.303 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.57 -39.14 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.007 -1.058 . . . . 0.0 111.74 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.97 -40.07 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.867 0.867 . . . . 0.0 110.959 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.6 mt -75.75 -40.89 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.434 1.094 . . . . 0.0 111.386 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.51 -48.77 76.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.621 1.168 . . . . 0.0 111.517 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -67.38 -42.65 83.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.595 1.158 . . . . 0.0 111.486 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.89 95.97 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.408 0.683 . . . . 0.0 112.441 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -66.17 -52.73 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.269 0.627 . . . . 0.0 112.219 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.885 0.874 . . . . 0.0 112.404 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -69.17 -46.5 67.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.941 0.791 . . . . 0.0 111.242 169.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.8 -32.87 73.19 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 CA--C 1.545 0.773 0 O-C-N 121.153 -0.967 . . . . 0.0 112.712 173.422 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.16 -44.77 64.85 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.125 0.97 . . . . 0.0 111.967 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -62.04 -44.22 97.16 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.457 0.703 . . . . 0.0 111.062 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.08 -45.3 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.011 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.96 78.31 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.881 1.219 . . . . 0.0 112.969 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.4 -44.88 89.87 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.965 -1.084 . . . . 0.0 111.653 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.0 -35.48 80.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.722 0.809 . . . . 0.0 112.403 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -57.16 -51.17 70.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.646 1.578 . . . . 0.0 110.714 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -63.42 -50.8 68.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.257 0.623 . . . . 0.0 111.849 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.3 75.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -72.82 -49.3 31.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.232 1.013 . . . . 0.0 111.551 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.3 t -59.89 -26.98 66.32 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.6 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.27 -21.08 21.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.227 1.411 . . . . 0.0 114.17 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD1' HG22 ' A' ' 35' ' ' VAL . 50.1 m-85 -121.2 5.21 10.29 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.935 1.694 . . . . 0.0 113.136 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.451 1.5 . . . . 0.0 110.739 174.725 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 23.22 60.21 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.889 1.233 . . . . 0.0 114.538 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -142.31 160.93 39.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.846 1.258 . . . . 0.0 113.024 -174.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -135.15 171.76 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.617 1.967 . . . . 0.0 110.605 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -83.35 160.88 21.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 122.272 1.034 . . . . 0.0 112.773 169.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.7 p -62.83 -21.29 65.82 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.419 1.088 . . . . 0.0 113.538 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -83.84 -38.53 21.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.291 0.95 . . . . 0.0 112.91 171.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.42 -20.13 65.48 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.53 5.84 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.795 1.238 . . . . 0.0 111.786 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.03 -27.68 73.05 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.375 -0.828 . . . . 0.0 113.134 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -69.52 -39.84 77.28 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.233 1.013 . . . . 0.0 111.771 172.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG22 ' CD1' ' A' ' 19' ' ' PHE . 48.3 t -63.85 -41.9 94.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.076 0.95 . . . . 0.0 110.866 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.8 mtp -62.29 -42.72 99.59 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.276 -0.89 . . . . 0.0 112.022 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -62.89 -33.79 76.05 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.233 1.013 . . . . 0.0 112.565 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -63.72 -28.44 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.937 0.895 . . . . 0.0 112.754 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.34 8.84 22.63 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.039 1.735 . . . . 0.0 113.545 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.22 2.5 89.15 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.372 1.463 . . . . 0.0 115.48 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -99.66 118.11 35.48 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.048 1.339 . . . . 0.0 110.16 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -104.29 90.27 3.08 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.669 0.788 . . . . 0.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.07 160.19 48.11 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.049 3.166 . . . . 0.0 112.931 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -79.5 151.64 30.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.99 -40.23 97.12 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.14 -1.6 . . . . 0.0 112.947 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.25 72.23 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.805 0.842 . . . . 0.0 112.903 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -68.75 -42.63 77.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.542 1.137 . . . . 0.0 111.482 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.38 -49.71 76.26 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.664 0.786 . . . . 0.0 110.721 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.35 -39.93 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.775 0.83 . . . . 0.0 112.361 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.73 -42.47 95.18 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.971 0.909 . . . . 0.0 112.634 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.2 mtm -68.14 -40.77 82.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.4 -0.812 . . . . 0.0 112.101 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.25 -29.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.237 1.015 . . . . 0.0 111.985 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.9 -26.84 67.73 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.042 1.292 . . . . 0.0 113.251 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -90.95 -47.11 7.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.894 0.878 . . . . 0.0 112.321 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.79 -35.5 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.852 1.261 . . . . 0.0 113.144 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -115.85 46.83 1.46 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.251 1.82 . . . . 0.0 111.948 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -26.46 63.38 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -85.42 -5.12 59.32 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 114.326 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.91 39.4 59.27 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.423 1.011 . . . . 0.0 115.3 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.42 -21.85 55.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.992 1.317 . . . . 0.0 113.332 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.46 17.44 76.26 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.832 1.682 . . . . 0.0 113.818 -169.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -139.36 162.13 35.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.564 1.545 . . . . 0.0 113.092 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mt -140.57 136.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.78 2.032 . . . . 0.0 109.186 -173.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.98 155.62 18.98 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.474 0.709 . . . . 0.0 111.486 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.46 -51.62 19.8 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.66 -27.91 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.989 1.792 . . . . 0.0 113.804 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.07 -25.39 58.57 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.2 -0.938 . . . . 0.0 112.147 174.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -72.35 -47.03 52.75 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.441 -0.787 . . . . 0.0 110.794 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.93 -31.56 71.89 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.409 -0.807 . . . . 0.0 112.327 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -50.88 -42.94 59.42 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.44 1.496 . . . . 0.0 112.762 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.6 ptp -84.37 -34.17 23.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.234 0.925 . . . . 0.0 113.025 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.8 mmm -63.05 -31.62 72.8 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.84 -0.537 . . . . 0.0 111.897 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 123.79 0.836 . . . . 0.0 112.375 170.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -70.39 -29.29 65.89 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.038 -1.039 . . . . 0.0 112.43 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.46 -46.84 81.35 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.402 -0.811 . . . . 0.0 111.064 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -47.27 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.741 1.216 . . . . 0.0 110.235 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.54 -41.97 99.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.763 0.825 . . . . 0.0 112.486 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.69 -44.73 77.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.824 0.85 . . . . 0.0 112.225 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.16 66.88 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 113.528 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.67 -42.74 33.56 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.092 -1.005 . . . . 0.0 111.426 168.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -62.77 -24.35 67.68 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.9 m -70.24 -19.82 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -95.26 -22.96 17.46 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 112.978 172.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 124.959 1.304 . . . . 0.0 110.945 177.367 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.382 0 N-CA-C 113.627 0.211 . . . . 0.0 113.627 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.57 163.42 34.84 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.101 1.36 . . . . 0.0 111.039 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -130.03 143.7 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.716 2.006 . . . . 0.0 108.369 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 p -68.26 149.69 49.17 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.122 -1.611 . . . . 0.0 111.576 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.945 -1.097 . . . . 0.0 111.952 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.21 90.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.747 0.819 . . . . 0.0 112.286 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.66 -43.55 75.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.89 0.876 . . . . 0.0 112.245 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.65 -41.01 72.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.063 0.847 . . . . 0.0 111.275 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -59.77 -40.9 89.75 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.454 1.024 . . . . 0.0 111.648 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.97 -63.17 1.3 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.133 0.573 . . . . 0.0 110.576 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.819 HG23 HD12 ' A' ' 112' ' ' LEU . 12.0 p -64.62 -33.63 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.641 1.11 . . . . 0.0 112.944 -172.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.4 mmt -71.2 -11.56 61.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 p -124.39 -2.46 8.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -97.06 -40.32 8.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.833 2.053 . . . . 0.0 111.406 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 108' ' ' VAL . 37.4 mt -123.6 159.38 29.36 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.678 1.591 . . . . 0.0 111.692 -169.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 68.16 -149.46 50.11 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.259 -0.882 . . . . 0.0 114.354 -171.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -71.63 -14.58 62.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.867 1.667 . . . . 0.0 113.623 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.82 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.82 2.848 . . . . 0.0 112.994 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.27 156.46 37.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.884 0.873 . . . . 0.0 112.658 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -66.7 157.05 33.67 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.313 0.645 . . . . 0.0 110.234 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.88 -46.77 71.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.696 1.198 . . . . 0.0 113.971 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -74.54 -27.45 60.52 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.233 -0.917 . . . . 0.0 112.546 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -74.41 -39.89 62.36 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.697 1.199 . . . . 0.0 111.705 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.89 -33.4 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.424 0.69 . . . . 0.0 112.009 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.56 -36.24 80.57 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.675 -1.266 . . . . 0.0 112.009 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -33.19 72.22 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.372 -0.83 . . . . 0.0 112.022 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -64.05 -54.22 37.65 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.508 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.46 -40.05 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.966 . . . . 0.0 111.221 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -54.4 -32.94 58.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.786 1.234 . . . . 0.0 113.938 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -109.82 -25.11 10.51 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.712 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -78.53 -35.53 46.09 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.368 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.478 0.932 0 C-N-CA 125.964 1.705 . . . . 0.0 111.155 170.186 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -125.01 87.6 2.74 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.758 1.623 . . . . 0.0 108.792 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.712 HG13 ' HB1' ' A' ' 128' ' ' ALA . 16.2 t -63.1 122.0 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 110.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -94.1 97.39 10.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.939 0.876 . . . . 0.0 111.023 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.93 -26.79 65.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.933 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.8 -34.91 79.47 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.877 1.217 . . . . 0.0 112.066 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -75.45 -43.25 50.54 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.121 -0.987 . . . . 0.0 111.267 169.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.05 -45.17 93.5 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.403 1.081 . . . . 0.0 113.072 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.65 -38.91 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.751 1.159 . . . . 0.0 111.875 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -68.1 -43.06 79.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.569 0.748 . . . . 0.0 112.053 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.8 ttp -64.8 -47.46 78.0 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.533 0.733 . . . . 0.0 112.066 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.28 -25.96 67.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.003 1.721 . . . . 0.0 112.679 -173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 125.215 1.406 . . . . 0.0 114.489 173.935 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 47.7 tt0 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.27 -45.08 72.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.425 1.09 . . . . 0.0 111.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 112' ' ' LEU . 41.0 tt0 -66.94 -25.61 66.43 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.9 m -103.44 -28.63 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.656 1.182 . . . . 0.0 112.342 -173.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.4 m -58.52 -38.83 78.56 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.372 1.069 . . . . 0.0 110.635 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.39 -41.92 77.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.508 0.723 . . . . 0.0 110.407 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.3 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.082 -1.011 . . . . 0.0 112.353 -176.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.2 mt -59.65 -42.64 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.143 0.977 . . . . 0.0 110.94 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.11 -39.69 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.409 1.084 . . . . 0.0 110.982 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.2 -45.62 92.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.692 1.133 . . . . 0.0 111.447 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -58.18 -54.21 49.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.697 1.199 . . . . 0.0 110.739 174.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.97 85.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.4 t80 -63.71 -54.5 34.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.409 0.684 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.57 -26.94 66.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.958 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -63.29 -47.83 80.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.854 1.661 . . . . 0.0 110.862 168.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.47 -37.48 86.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.594 0.758 . . . . 0.0 112.053 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 CA--C 1.537 0.448 0 O-C-N 121.116 -0.99 . . . . 0.0 113.005 174.097 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -65.89 -36.34 83.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.414 1.085 . . . . 0.0 112.994 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -74.43 -45.58 45.56 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.317 0.647 . . . . 0.0 111.042 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.33 -44.93 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.021 0.929 . . . . 0.0 111.057 -176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.98 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.5 -44.58 67.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 111.482 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -63.95 -34.04 77.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.34 0.656 . . . . 0.0 112.395 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -54.34 -49.79 68.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.8 1.64 . . . . 0.0 111.746 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.81 -50.46 62.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.619 0.767 . . . . 0.0 111.708 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.0 72.83 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -75.25 -48.71 22.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.127 0.876 . . . . 0.0 112.139 175.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.89 -25.28 64.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.09 0.956 . . . . 0.0 112.656 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.85 -21.02 6.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.894 1.678 . . . . 0.0 114.619 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HG12 ' A' ' 35' ' ' VAL . 15.6 m-85 -131.72 11.64 4.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.55 1.54 . . . . 0.0 112.938 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.541 0.601 0 O-C-N 121.409 -0.807 . . . . 0.0 110.932 -176.471 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 CA--C 1.546 0.805 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.43 29.77 13.5 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.199 -0.938 . . . . 0.0 114.445 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -139.1 149.45 44.56 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.912 1.356 . . . . 0.0 113.294 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -118.94 169.71 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.304 1.842 . . . . 0.0 110.147 171.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -83.95 158.61 21.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.191 0.996 . . . . 0.0 112.175 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -62.67 -22.02 66.16 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.283 1.033 . . . . 0.0 112.815 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.94 -42.54 48.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 112.966 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.01 -15.68 60.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.59 -60.45 2.18 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.732 1.213 . . . . 0.0 112.129 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.63 -26.34 69.71 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 122.038 -0.414 . . . . 0.0 113.402 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -69.0 -40.29 78.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.09 0.956 . . . . 0.0 111.204 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.295 1.8 m -72.45 -31.29 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.375 -0.828 . . . . 0.0 112.2 173.715 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.01 -43.08 99.75 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.096 -1.002 . . . . 0.0 111.331 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -64.41 -34.36 77.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.269 1.028 . . . . 0.0 112.365 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 t -61.74 -36.1 80.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.766 0.826 . . . . 0.0 112.176 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.41 7.97 8.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.795 1.638 . . . . 0.0 114.158 170.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.31 4.72 89.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.141 1.353 . . . . 0.0 115.786 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -102.47 124.56 48.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.033 1.416 . . . . 0.0 110.472 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -109.87 87.03 5.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 123.938 0.895 . . . . 0.0 111.017 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.73 152.77 64.53 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.21 3.273 . . . . 0.0 112.907 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -73.08 151.64 41.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.449 1.1 . . . . 0.0 110.373 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -59.69 -35.13 73.86 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.503 -1.373 . . . . 0.0 112.817 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.51 94.39 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.048 0.939 . . . . 0.0 112.44 173.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.18 -44.28 95.86 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.659 -0.651 . . . . 0.0 111.112 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.42 -48.3 82.17 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.37 0.532 . . . . 0.0 111.385 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -62.27 -39.37 92.7 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.464 1.029 . . . . 0.0 112.391 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -65.8 -38.49 89.12 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.454 -0.779 . . . . 0.0 113.084 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -70.53 -41.04 73.06 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.453 -0.78 . . . . 0.0 111.633 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.526 ' HA ' HG22 ' A' ' 55' ' ' VAL . 54.2 mt -71.91 -22.13 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 121.363 -0.836 . . . . 0.0 112.857 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.95 -29.19 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.044 -1.035 . . . . 0.0 111.35 168.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -89.46 -47.5 7.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.408 1.083 . . . . 0.0 112.706 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 52' ' ' ILE . 16.4 m -76.17 -14.99 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -140.04 52.48 1.68 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.197 0.999 . . . . 0.0 112.612 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.01 -23.66 63.85 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 174.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.67 -16.41 57.33 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.898 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.94 70.63 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.548 1.071 . . . . 0.0 114.879 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -76.76 -17.38 59.09 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 118.584 1.192 . . . . 0.0 113.798 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.08 16.7 76.12 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.522 1.534 . . . . 0.0 114.587 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -134.41 159.23 41.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.019 1.327 . . . . 0.0 113.774 -176.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 mt -139.12 137.12 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 127.366 2.266 . . . . 0.0 108.378 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.52 157.29 19.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.956 0.798 . . . . 0.0 111.905 173.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -47.71 -55.67 16.21 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.04 -21.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.975 1.783 . . . . 0.0 113.327 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' HG3' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -70.97 -41.09 71.49 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.712 0.687 . . . . 0.0 111.168 172.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.63 -40.22 94.09 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.362 -0.837 . . . . 0.0 112.634 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.96 -25.04 66.54 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -37.08 78.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.549 0.74 . . . . 0.0 112.817 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -84.29 -33.7 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.922 -0.486 . . . . 0.0 112.035 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -64.17 -28.77 69.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 170.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.76 -35.84 77.59 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.609 -0.682 . . . . 0.0 111.851 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -68.14 -42.37 80.23 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.956 0.902 . . . . 0.0 111.691 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.94 -45.37 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.011 0.924 . . . . 0.0 110.327 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -60.58 -44.19 96.48 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.48 1.036 . . . . 0.0 112.425 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -62.92 -42.92 99.95 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.902 0.774 . . . . 0.0 112.569 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.12 68.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.942 1.297 . . . . 0.0 113.632 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.07 -41.95 57.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.918 -1.114 . . . . 0.0 112.23 171.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -57.34 -29.3 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -74.79 -12.32 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.5 m-85 -100.47 -22.77 14.91 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.886 1.275 . . . . 0.0 112.978 169.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 124.428 1.091 . . . . 0.0 110.295 175.062 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.416 0 N-CA-C 113.928 0.331 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.01 166.34 31.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.289 1.436 . . . . 0.0 110.513 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -129.64 138.05 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.504 1.521 . . . . 0.0 109.166 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -65.08 140.3 58.81 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.879 -1.138 . . . . 0.0 110.987 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.98 86.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.295 -0.878 . . . . 0.0 112.605 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -75.04 -43.32 54.2 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.379 -0.826 . . . . 0.0 111.821 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.54 -38.97 84.97 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.03 0.832 . . . . 0.0 110.741 174.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttt-85 -62.24 -37.7 86.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.561 0.744 . . . . 0.0 112.247 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -57.96 -64.76 0.8 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.617 0.644 . . . . 0.0 110.298 170.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.695 HG23 HD12 ' A' ' 112' ' ' LEU . 11.3 p -63.22 -39.69 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.733 0.697 . . . . 0.0 112.559 -171.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -66.24 -16.38 63.96 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.6 p -115.57 3.18 13.95 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -116.05 -29.93 6.17 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.171 1.388 . . . . 0.0 113.975 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.695 HD12 HG23 ' A' ' 108' ' ' VAL . 23.7 mt -131.82 137.78 48.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.823 1.249 . . . . 0.0 110.026 -172.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.62 -146.56 30.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.9 8.57 1.93 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 39.88 103.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 129.908 3.283 . . . . 0.0 114.332 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.74 142.3 58.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.184 -0.947 . . . . 0.0 110.39 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.772 0.829 . . . . 0.0 109.975 173.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.0 -51.98 59.9 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.667 -1.271 . . . . 0.0 114.311 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -71.57 -21.71 61.84 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.985 -1.072 . . . . 0.0 113.179 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -78.43 -41.87 31.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.674 1.19 . . . . 0.0 111.884 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 p -72.57 -34.36 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 123.919 0.888 . . . . 0.0 110.543 173.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.24 -40.65 94.31 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.542 -0.724 . . . . 0.0 111.285 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -57.81 -39.97 78.85 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.863 0.756 . . . . 0.0 111.462 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.2 ttm -58.95 -54.46 46.89 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.934 170.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.4 mm -58.06 -38.41 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 121.349 1.886 . . . . 0.0 111.713 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -57.35 -27.46 62.27 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.43 -17.75 9.99 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.563 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -81.01 -33.83 33.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.189 2.195 . . . . 0.0 112.429 172.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t0 . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 124.429 1.091 . . . . 0.0 111.61 171.103 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.292 0 N-CA-C 114.209 0.444 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -126.92 99.89 5.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.578 1.551 . . . . 0.0 110.671 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.563 HG13 ' HB1' ' A' ' 128' ' ' ALA . 14.0 t -74.58 128.38 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.669 -0.645 . . . . 0.0 110.247 171.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -97.76 99.89 11.25 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.97 0.891 . . . . 0.0 111.007 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -70.06 -25.93 63.77 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.144 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.93 -32.6 72.33 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.904 1.229 . . . . 0.0 112.246 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -75.07 -42.49 56.74 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 110.518 168.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.92 -43.93 94.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.368 1.067 . . . . 0.0 113.65 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.03 -43.69 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.14 0.976 . . . . 0.0 111.711 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -66.32 -39.14 89.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.373 0.669 . . . . 0.0 111.558 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.1 ttp -64.28 -46.28 84.35 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.633 -0.667 . . . . 0.0 112.665 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.2 mtm -65.41 -43.19 91.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.754 0.706 . . . . 0.0 112.01 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 114.287 1.218 . . . . 0.0 114.287 -177.281 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 N--CA 1.468 0.457 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -52.02 -44.53 64.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.841 1.256 . . . . 0.0 112.611 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.27 -22.2 62.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -104.38 -30.66 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.834 1.253 . . . . 0.0 111.886 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 37.1 m -56.47 -40.34 74.72 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.338 1.455 . . . . 0.0 111.508 169.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.69 75.55 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.862 -0.524 . . . . 0.0 110.331 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.37 -43.38 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.084 -1.01 . . . . 0.0 111.377 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.8 mt -55.4 -43.54 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.375 1.07 . . . . 0.0 111.598 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.23 -36.34 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.797 0.839 . . . . 0.0 110.899 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.17 -43.54 98.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.772 1.169 . . . . 0.0 111.695 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.37 -49.17 78.83 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.925 0.89 . . . . 0.0 110.638 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.42 97.3 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.869 0.867 . . . . 0.0 112.653 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.5 -51.46 42.99 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -66.8 -24.72 66.21 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.49 -0.756 . . . . 0.0 112.877 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -47.09 65.69 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.713 0.805 . . . . 0.0 110.82 168.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.38 -36.53 78.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.109 0.964 . . . . 0.0 112.949 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 CA--C 1.549 0.907 0 CA-C-N 119.276 0.944 . . . . 0.0 112.903 173.697 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.64 -44.14 74.82 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.941 0.896 . . . . 0.0 112.148 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.41 -43.62 98.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.268 0.627 . . . . 0.0 111.139 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.61 -44.74 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.782 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.0 75.88 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.501 1.046 . . . . 0.0 113.2 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.7 -46.68 78.09 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 111.723 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -67.18 -34.23 77.08 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.735 -0.603 . . . . 0.0 112.405 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.3 -50.24 73.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.352 1.461 . . . . 0.0 110.917 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.77 -51.21 68.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.287 0.635 . . . . 0.0 111.92 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.9 -33.15 75.05 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -74.99 -46.95 31.77 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.242 0.928 . . . . 0.0 111.965 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -61.02 -22.66 64.76 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.509 1.124 . . . . 0.0 112.553 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.67 -21.31 17.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.726 1.611 . . . . 0.0 114.354 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.627 ' CD1' HG12 ' A' ' 35' ' ' VAL . 30.2 m-85 -126.08 2.19 7.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.657 1.583 . . . . 0.0 112.945 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.8 t0 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.559 176.816 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.45 24.82 55.85 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.838 1.209 . . . . 0.0 114.843 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 p -141.95 159.03 43.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.172 1.486 . . . . 0.0 113.825 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.4 pt -132.96 168.49 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 127.015 2.126 . . . . 0.0 110.046 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -79.54 159.29 26.95 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.309 1.052 . . . . 0.0 113.049 169.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.31 -26.32 67.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.38 1.072 . . . . 0.0 112.722 170.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.33 -41.35 73.34 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.311 1.044 . . . . 0.0 112.181 172.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.77 -18.06 61.02 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.19 -60.67 2.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.585 1.154 . . . . 0.0 111.623 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -30.17 77.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 122.096 -0.377 . . . . 0.0 113.263 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -64.37 -40.4 95.77 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.014 0.907 . . . . 0.0 111.145 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.627 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.325 1.3 m -74.92 -34.04 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.318 173.859 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.5 mtp -56.99 -41.11 77.85 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.922 1.692 . . . . 0.0 112.033 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -67.44 -22.11 65.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.295 1.038 . . . . 0.0 112.889 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -68.75 -34.63 75.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.163 0.892 . . . . 0.0 111.815 169.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.09 1.85 19.79 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.299 1.04 . . . . 0.0 113.069 168.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.96 82.27 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.561 1.553 . . . . 0.0 115.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.26 120.84 26.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.16 1.48 . . . . 0.0 110.12 172.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -103.94 92.77 4.7 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.543 0.737 . . . . 0.0 110.96 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.14 161.07 44.12 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.755 2.97 . . . . 0.0 112.225 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 t -91.73 162.75 14.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.651 0.78 . . . . 0.0 112.692 170.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.03 -42.92 99.89 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.692 -1.255 . . . . 0.0 113.052 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.21 78.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.253 0.621 . . . . 0.0 112.325 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.33 -43.2 82.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.1 1.36 . . . . 0.0 111.657 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.08 -46.57 89.14 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.883 -0.511 . . . . 0.0 111.205 171.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -59.86 -41.52 91.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.267 0.627 . . . . 0.0 112.224 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.99 -39.1 93.37 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.032 0.933 . . . . 0.0 113.141 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.9 mtm -72.54 -41.0 66.3 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.065 0.848 . . . . 0.0 112.191 174.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.8 -28.39 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.041 0.937 . . . . 0.0 111.654 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.905 1.23 . . . . 0.0 112.866 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.95 -48.98 7.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.134 0.974 . . . . 0.0 112.375 172.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.7 t -67.42 -37.89 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.91 1.284 . . . . 0.0 113.207 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -118.23 51.16 1.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.342 1.857 . . . . 0.0 111.749 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.83 -22.28 62.04 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.08 -1.012 . . . . 0.0 113.4 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -77.42 -16.68 58.69 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.779 1.232 . . . . 0.0 113.897 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.99 29.76 70.5 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.533 1.063 . . . . 0.0 114.574 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -76.56 -22.23 54.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.161 1.384 . . . . 0.0 113.687 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.93 15.38 72.81 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.597 1.57 . . . . 0.0 115.326 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -132.7 162.18 32.06 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.092 1.446 . . . . 0.0 113.987 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 mt -137.7 135.19 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.445 2.298 . . . . 0.0 108.209 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.2 157.16 18.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.207 0.603 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -56.59 9.79 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 117.944 -1.026 . . . . 0.0 113.546 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.39 -23.26 32.67 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 121.865 1.71 . . . . 0.0 113.624 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.5 -36.72 65.8 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.792 0.724 . . . . 0.0 111.568 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -63.72 -40.88 97.83 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.493 -0.754 . . . . 0.0 112.249 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.38 -20.79 63.42 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -43.15 97.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.293 0.951 . . . . 0.0 111.872 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -76.81 -35.17 57.77 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.943 -1.098 . . . . 0.0 111.675 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.01 -34.53 77.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.215 0.606 . . . . 0.0 112.004 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.454 1.102 . . . . 0.0 112.72 173.429 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.96 -32.65 74.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.964 0.905 . . . . 0.0 112.135 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.63 -47.57 21.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.804 1.242 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.95 -47.49 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.383 1.473 . . . . 0.0 110.427 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -62.2 -38.89 90.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.108 0.563 . . . . 0.0 112.091 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -75.76 -39.26 57.43 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -36.69 78.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.409 1.083 . . . . 0.0 112.286 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.69 -42.25 86.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.018 -1.051 . . . . 0.0 112.254 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -60.64 -25.45 66.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.069 -1.019 . . . . 0.0 113.402 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -66.38 -22.91 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.934 1.694 . . . . 0.0 113.139 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.585 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -99.63 -25.95 14.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.212 1.405 . . . . 0.0 113.429 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.715 1.206 . . . . 0.0 110.299 174.114 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -151.16 162.02 41.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.363 1.065 . . . . 0.0 112.427 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.3 mt -125.77 154.6 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.482 1.913 . . . . 0.0 109.421 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -75.67 143.22 42.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 119.885 -1.759 . . . . 0.0 111.44 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.19 -42.02 65.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.718 0.807 . . . . 0.0 112.758 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.33 80.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.614 0.766 . . . . 0.0 112.31 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -71.87 -42.94 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.51 0.724 . . . . 0.0 112.225 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.05 -39.6 75.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.046 0.839 . . . . 0.0 111.125 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -60.87 -40.32 92.54 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.01 0.823 . . . . 0.0 111.931 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.12 -63.31 1.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.809 0.732 . . . . 0.0 110.65 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.789 HG23 HD12 ' A' ' 112' ' ' LEU . 12.2 p -65.28 -36.57 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.197 0.908 . . . . 0.0 113.129 -171.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.0 mmt -67.97 -14.76 63.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.4 p -117.69 -2.71 11.37 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.245 1.018 . . . . 0.0 113.715 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -103.27 -38.53 7.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.677 1.591 . . . . 0.0 113.044 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.789 HD12 HG23 ' A' ' 108' ' ' VAL . 32.4 mt -126.84 139.7 52.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.809 1.244 . . . . 0.0 111.426 -168.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.59 -150.7 40.31 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 114.443 0.537 . . . . 0.0 114.443 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.1 49.2 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.855 1.662 . . . . 0.0 113.913 -172.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -4.47 108.1 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 130.841 3.657 . . . . 0.0 115.246 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.62 148.83 47.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.806 0.842 . . . . 0.0 112.0 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -68.81 161.18 29.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.914 0.886 . . . . 0.0 110.33 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.23 -45.21 80.05 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.695 -1.253 . . . . 0.0 114.262 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -76.05 -27.74 57.39 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.016 -1.053 . . . . 0.0 112.53 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -72.3 -41.8 66.2 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 111.729 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.2 -35.91 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.968 0.907 . . . . 0.0 111.503 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.46 -38.12 86.64 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.196 -0.94 . . . . 0.0 111.496 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.94 -33.81 67.38 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.086 0.857 . . . . 0.0 112.118 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.0 ttm -66.69 -49.31 66.53 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.15 0.58 . . . . 0.0 110.647 173.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.16 -42.63 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.918 0.781 . . . . 0.0 111.026 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -53.41 -34.75 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.801 1.24 . . . . 0.0 113.713 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -107.63 -22.55 12.47 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.03 -31.31 27.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.902 0.881 . . . . 0.0 113.043 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 125.242 1.417 . . . . 0.0 111.593 177.132 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 N-CA-C 114.628 0.611 . . . . 0.0 114.628 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.47 84.41 2.27 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.374 1.469 . . . . 0.0 109.313 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.74 109.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.898 1.279 . . . . 0.0 111.125 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -85.67 91.85 8.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 122.289 1.042 . . . . 0.0 110.379 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.402 ' HA ' ' HB3' ' A' ' 141' ' ' PHE . 1.8 p90 -64.81 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.697 -1.138 . . . . 0.0 112.917 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.2 -36.43 77.26 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.639 1.109 . . . . 0.0 111.962 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -73.76 -40.23 63.64 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.303 -0.873 . . . . 0.0 110.907 168.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 2.9 t80 -65.08 -41.13 95.31 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.342 1.057 . . . . 0.0 113.62 -176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.53 -41.92 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.315 0.961 . . . . 0.0 111.369 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.69 -43.56 93.14 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.124 0.57 . . . . 0.0 111.324 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -62.44 -47.69 82.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.589 -0.694 . . . . 0.0 112.526 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.8 mtm -63.09 -37.76 88.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.068 0.547 . . . . 0.0 112.056 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -177.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 120.886 0.374 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.16 -43.41 78.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.026 1.33 . . . . 0.0 111.69 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 112' ' ' LEU . 44.3 tt0 -64.19 -28.66 69.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.8 m -99.21 -30.41 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.482 1.113 . . . . 0.0 112.178 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -55.05 -39.79 69.58 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.396 1.078 . . . . 0.0 110.855 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 110.37 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.52 -38.42 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 120.943 -1.098 . . . . 0.0 112.164 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.9 mt -58.52 -43.87 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.021 0.929 . . . . 0.0 110.748 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.3 -39.24 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.363 1.065 . . . . 0.0 111.075 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -58.31 -45.96 87.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.493 1.117 . . . . 0.0 111.871 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -67.84 -44.34 77.43 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.17 0.988 . . . . 0.0 111.544 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.38 81.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.463 0.705 . . . . 0.0 112.801 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -66.55 -52.31 47.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.221 0.608 . . . . 0.0 112.216 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -63.76 -34.1 77.14 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.047 -1.033 . . . . 0.0 112.298 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.74 -36.55 76.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.867 1.212 . . . . 0.0 111.69 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.02 -41.52 70.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 171.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 CA--C 1.54 0.588 0 O-C-N 121.465 -0.772 . . . . 0.0 111.89 173.929 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -70.39 -38.77 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.844 0.858 . . . . 0.0 112.421 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -64.18 -47.11 81.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.723 0.809 . . . . 0.0 110.166 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.01 -46.31 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.153 0.981 . . . . 0.0 110.808 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.24 74.36 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.595 1.089 . . . . 0.0 113.284 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -68.38 -44.4 75.24 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.967 -1.083 . . . . 0.0 111.509 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -63.05 -37.29 86.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 112.074 171.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -60.18 -46.8 88.49 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 110.608 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.99 -45.25 93.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.911 0.884 . . . . 0.0 112.379 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.29 96.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -75.75 -46.6 30.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.821 0.737 . . . . 0.0 112.594 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.3 p -63.75 -17.09 62.68 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.8 -20.73 37.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.301 1.44 . . . . 0.0 113.967 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CD1' HG12 ' A' ' 35' ' ' VAL . 28.6 m-85 -126.4 -2.42 6.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.627 1.571 . . . . 0.0 113.083 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.8 t0 . . . . . 0 CA--C 1.547 0.86 0 O-C-N 120.967 -1.083 . . . . 0.0 110.641 174.525 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.9 25.1 39.03 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.66 1.124 . . . . 0.0 114.273 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -140.84 158.49 43.89 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 119.24 1.52 . . . . 0.0 114.138 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -132.42 171.71 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.845 2.058 . . . . 0.0 110.68 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -87.34 155.37 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.242 1.02 . . . . 0.0 112.967 170.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.48 -30.81 68.8 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 0.0 112.668 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.23 -28.18 65.06 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -82.05 -17.14 47.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.843 1.257 . . . . 0.0 113.578 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.51 -60.26 2.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.672 1.189 . . . . 0.0 111.436 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.5 -25.59 71.5 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.966 -0.459 . . . . 0.0 113.673 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.46 -43.03 82.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.912 0.885 . . . . 0.0 110.896 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.287 1.4 m -73.79 -28.49 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.899 173.23 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.3 mtp -62.46 -40.78 97.74 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.971 1.714 . . . . 0.0 111.863 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -59.22 -29.51 67.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.639 0.775 . . . . 0.0 112.51 172.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -66.89 -20.56 65.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.5 -1.03 57.88 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.963 1.305 . . . . 0.0 112.604 168.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.95 90.21 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.054 1.311 . . . . 0.0 114.636 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -92.23 120.96 33.3 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.736 1.268 . . . . 0.0 109.88 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.44 77.37 4.26 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 121.142 -0.974 . . . . 0.0 110.687 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -63.81 153.23 76.73 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.57 2.847 . . . . 0.0 112.759 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.1 m -78.68 152.28 31.73 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.304 1.041 . . . . 0.0 111.163 169.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.57 -36.65 69.56 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.893 -1.129 . . . . 0.0 113.825 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.551 0.74 . . . . 0.0 112.802 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.73 -45.11 72.35 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.411 0.685 . . . . 0.0 110.912 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.2 mt -58.2 -47.88 82.08 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.302 0.641 . . . . 0.0 111.3 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -63.26 -39.21 93.97 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.86 -42.54 97.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.971 0.805 . . . . 0.0 112.15 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.11 -39.68 93.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.487 -0.758 . . . . 0.0 111.948 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.03 -31.4 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.427 -0.796 . . . . 0.0 111.994 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.69 -28.55 69.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 120.352 1.433 . . . . 0.0 112.807 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -80.59 -47.25 14.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.576 0.75 . . . . 0.0 112.244 170.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 t -73.93 -49.31 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.826 1.251 . . . . 0.0 113.462 -174.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -95.66 48.43 1.14 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 112.104 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -24.27 65.31 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.077 -1.014 . . . . 0.0 113.265 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -78.76 -13.19 59.95 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.868 1.267 . . . . 0.0 113.942 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.02 73.41 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.717 1.151 . . . . 0.0 114.782 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -81.32 -15.69 54.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.744 1.217 . . . . 0.0 113.821 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.92 20.32 76.22 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.737 1.16 . . . . 0.0 114.379 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.5 p -135.03 160.04 39.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.88 1.272 . . . . 0.0 113.858 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.3 mt -139.86 133.98 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.198 2.199 . . . . 0.0 108.41 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 155.9 19.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.974 170.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -47.37 -54.55 21.02 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.21 -23.55 33.19 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.106 1.871 . . . . 0.0 113.496 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.77 -36.73 65.12 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.489 -0.757 . . . . 0.0 111.549 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -62.48 -41.04 98.52 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.442 -0.786 . . . . 0.0 111.755 171.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.34 -21.62 64.18 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -35.88 77.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.085 0.857 . . . . 0.0 112.551 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.51 -33.13 23.61 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.3 0.5 . . . . 0.0 112.101 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.81 -18.87 65.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.296 1.039 . . . . 0.0 113.423 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 CA-C-N 118.928 0.785 . . . . 0.0 112.768 168.13 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -66.08 -32.99 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.577 -0.702 . . . . 0.0 112.032 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -47.46 76.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.689 0.796 . . . . 0.0 111.042 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.02 -47.25 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 124.628 1.171 . . . . 0.0 110.947 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG2' HG11 ' A' ' 142' ' ' VAL . 78.6 mtt-85 -56.97 -46.9 81.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.195 0.907 . . . . 0.0 111.799 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -70.63 -40.25 73.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.528 0.604 . . . . 0.0 112.557 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -35.74 79.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.824 0.849 . . . . 0.0 112.756 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.95 -43.92 77.95 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.148 -0.97 . . . . 0.0 112.159 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -59.28 -27.98 66.34 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 113.005 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.7 t -60.3 -32.76 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.269 1.428 . . . . 0.0 112.583 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 15.6 m-85 -93.79 -9.9 35.96 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.4 t0 . . . . . 0 N--CA 1.474 0.744 0 CA-C-N 119.479 1.036 . . . . 0.0 110.54 -178.646 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 N-CA-C 114.3 0.48 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -150.51 169.0 22.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.679 1.591 . . . . 0.0 110.171 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -129.96 139.32 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.556 1.542 . . . . 0.0 109.051 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -67.03 140.32 57.67 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.698 -1.252 . . . . 0.0 111.007 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.17 89.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.948 -1.095 . . . . 0.0 112.959 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.47 72.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.516 0.726 . . . . 0.0 112.87 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -73.11 -42.3 63.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 111.737 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.63 -41.69 79.11 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.486 0.584 . . . . 0.0 110.832 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -60.01 -39.68 86.64 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.945 0.793 . . . . 0.0 112.058 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -56.66 -63.33 1.24 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.961 0.8 . . . . 0.0 110.644 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.932 HG23 HD12 ' A' ' 112' ' ' LEU . 14.6 p -63.51 -36.83 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.053 0.842 . . . . 0.0 112.776 -172.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -68.0 -14.79 63.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -120.46 -3.12 9.92 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.499 1.12 . . . . 0.0 113.882 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -99.2 -33.94 10.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.438 1.895 . . . . 0.0 112.64 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.932 HD12 HG23 ' A' ' 108' ' ' VAL . 25.6 mt -128.28 160.84 30.9 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.421 1.488 . . . . 0.0 111.123 -169.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.79 -141.28 32.97 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.688 0.605 . . . . 0.0 114.324 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.55 -18.0 61.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.027 1.331 . . . . 0.0 112.742 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? 62.24 106.57 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.424 2.689 . . . . 0.0 112.745 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.51 153.47 42.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.705 0.802 . . . . 0.0 111.822 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.86 159.86 27.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.735 0.814 . . . . 0.0 110.65 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -55.07 -41.41 71.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.891 1.276 . . . . 0.0 114.153 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.72 -32.17 35.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.294 -0.879 . . . . 0.0 112.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -65.83 -41.74 91.4 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.202 -0.936 . . . . 0.0 111.343 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.91 -34.42 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.252 -0.905 . . . . 0.0 112.559 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -69.98 -34.33 73.23 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.977 -1.077 . . . . 0.0 112.36 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.77 -25.9 68.39 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 112.486 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -68.38 -55.23 12.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.554 0.616 . . . . 0.0 109.751 170.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.25 -34.67 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.575 0.625 . . . . 0.0 111.429 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -49.16 -42.56 40.07 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.365 . . . . 0.0 113.11 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -42.93 9.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.337 0.655 . . . . 0.0 111.844 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -68.16 -37.4 80.97 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.997 1.719 . . . . 0.0 113.327 -168.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.362 1.465 . . . . 0.0 111.325 174.44 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.18 0 N-CA-C 114.17 0.428 . . . . 0.0 114.17 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.49 86.17 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.178 1.391 . . . . 0.0 109.915 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.624 HG13 ' HB1' ' A' ' 128' ' ' ALA . 25.4 t -64.45 120.63 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 O-C-N 121.815 -0.553 . . . . 0.0 110.047 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -97.72 90.0 4.83 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.42 1.105 . . . . 0.0 110.87 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -61.62 -28.51 69.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.509 -1.223 . . . . 0.0 113.501 -174.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -26.44 67.99 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.129 0.877 . . . . 0.0 112.534 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.59 -41.95 15.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.138 0.975 . . . . 0.0 111.246 168.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.71 -41.15 98.99 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.093 0.957 . . . . 0.0 113.145 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.443 HG11 ' HG2' ' A' ' 86' ' ' ARG . 12.6 p -59.73 -42.4 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.543 1.137 . . . . 0.0 112.201 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.57 -38.59 87.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.981 0.912 . . . . 0.0 111.727 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.0 ttp -67.82 -45.66 74.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.853 0.861 . . . . 0.0 112.348 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.5 -48.06 81.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.05 0.54 . . . . 0.0 111.874 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.765 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.9 tp60 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.27 -46.47 85.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.771 1.228 . . . . 0.0 112.239 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.504 ' HA ' HD13 ' A' ' 112' ' ' LEU . 54.0 tt0 -66.8 -26.2 66.83 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.8 m -98.4 -31.75 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.285 1.034 . . . . 0.0 112.316 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 55.5 m -57.3 -40.41 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.576 1.15 . . . . 0.0 110.848 170.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.17 81.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 0.0 110.351 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.05 -39.52 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.0 0.92 . . . . 0.0 111.965 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.8 mt -59.19 -44.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.549 1.139 . . . . 0.0 111.339 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.19 -37.73 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.052 0.941 . . . . 0.0 110.095 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.64 -33.8 76.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.093 -1.004 . . . . 0.0 112.824 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -65.49 -54.4 28.77 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.943 0.792 . . . . 0.0 110.603 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.32 78.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.331 1.053 . . . . 0.0 113.008 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.26 -53.29 46.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -26.85 61.3 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.92 -1.113 . . . . 0.0 111.818 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 32.5 tpt85 -61.5 -40.87 96.16 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.76 0.709 . . . . 0.0 110.944 169.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.22 -41.28 85.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.987 0.915 . . . . 0.0 112.963 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.468 0.434 0 CA-C-N 118.655 0.661 . . . . 0.0 111.204 172.623 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -64.56 -46.67 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.85 1.26 . . . . 0.0 112.128 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.35 -37.88 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.042 0.837 . . . . 0.0 112.493 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mt -64.72 -45.06 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.017 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.31 74.92 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.504 1.047 . . . . 0.0 113.006 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.1 -47.92 82.49 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.27 -0.894 . . . . 0.0 111.382 171.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -70.13 -34.4 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.179 0.592 . . . . 0.0 112.462 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -54.49 -51.08 66.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.619 1.568 . . . . 0.0 110.944 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.38 -53.5 51.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.233 0.613 . . . . 0.0 111.656 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.18 72.28 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.59 -49.13 22.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.901 0.88 . . . . 0.0 111.597 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -61.21 -26.5 67.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 112.396 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.85 -22.61 26.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.398 1.479 . . . . 0.0 114.047 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD2' HG22 ' A' ' 35' ' ' VAL . 43.7 m-85 -119.04 2.77 11.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.981 1.712 . . . . 0.0 113.169 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 125.045 1.338 . . . . 0.0 110.662 172.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.77 25.03 57.2 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.054 -1.029 . . . . 0.0 113.528 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.9 p -142.1 161.23 38.52 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.273 1.429 . . . . 0.0 112.612 -172.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 pt -134.61 173.13 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.285 1.834 . . . . 0.0 110.588 172.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.5 p -85.43 158.24 20.26 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.262 1.029 . . . . 0.0 112.638 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.44 ' HB ' HD13 ' A' ' 52' ' ' ILE . 36.8 p -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.434 1.094 . . . . 0.0 112.369 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.89 -44.51 63.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.709 1.204 . . . . 0.0 112.565 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.53 -13.95 60.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.29 -58.2 4.91 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.807 1.243 . . . . 0.0 111.617 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -27.92 73.24 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 121.356 -0.84 . . . . 0.0 113.196 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -67.91 -41.3 82.89 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.394 1.097 . . . . 0.0 111.388 172.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 19' ' ' PHE . 55.3 t -64.86 -40.47 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.595 1.158 . . . . 0.0 111.116 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.5 mtp -62.38 -45.03 95.0 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 111.892 172.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -64.22 -30.94 71.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.181 0.993 . . . . 0.0 112.638 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -63.76 -29.41 70.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.124 0.97 . . . . 0.0 112.769 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.19 7.39 25.27 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.854 1.661 . . . . 0.0 113.37 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.7 86.05 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.457 1.504 . . . . 0.0 115.357 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -94.96 116.83 29.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.683 1.242 . . . . 0.0 110.294 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -102.41 94.58 5.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 121.491 -0.756 . . . . 0.0 110.863 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.1 156.91 55.17 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.404 3.403 . . . . 0.0 113.368 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.7 m -74.94 147.04 41.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 110.533 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.51 -35.71 81.35 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.371 -1.455 . . . . 0.0 113.292 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.51 72.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.34 -43.57 69.98 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.611 0.764 . . . . 0.0 111.222 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.66 -47.72 79.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.568 0.747 . . . . 0.0 111.176 171.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.0 -42.53 90.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.366 0.667 . . . . 0.0 112.117 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.21 -44.62 87.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.761 0.824 . . . . 0.0 112.549 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mtm -64.63 -39.72 94.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.44 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.5 mt -69.61 -31.8 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.444 -0.785 . . . . 0.0 111.427 175.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.4 -29.16 69.83 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.451 1.478 . . . . 0.0 112.887 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -74.97 -48.25 25.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.174 0.897 . . . . 0.0 111.93 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -77.43 -49.77 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -172.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -96.58 50.6 1.14 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.428 1.491 . . . . 0.0 112.265 -176.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.88 65.29 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.151 -0.968 . . . . 0.0 113.178 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.01 -13.76 59.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.908 1.283 . . . . 0.0 113.95 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.84 72.88 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.698 1.142 . . . . 0.0 114.791 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.97 -15.82 56.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.642 1.177 . . . . 0.0 113.916 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.34 18.34 74.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.921 1.248 . . . . 0.0 114.383 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.3 p -134.44 160.29 38.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.051 1.34 . . . . 0.0 113.787 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -139.9 136.5 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.051 2.14 . . . . 0.0 109.423 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.57 158.15 16.6 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.313 0.645 . . . . 0.0 111.622 171.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -41.95 -53.35 8.27 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.43 -28.86 26.34 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.878 1.718 . . . . 0.0 114.222 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.52 -31.94 67.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.208 -0.933 . . . . 0.0 112.418 173.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.81 -47.1 70.02 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.555 -0.716 . . . . 0.0 111.104 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.77 73.1 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.154 -0.966 . . . . 0.0 112.197 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -51.93 -52.37 50.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.738 1.615 . . . . 0.0 112.069 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.9 ptp -75.49 -32.41 60.56 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.658 -0.651 . . . . 0.0 112.239 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.2 mmm -66.9 -39.92 87.58 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.803 -0.561 . . . . 0.0 111.71 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.68 0 O-C-N 121.583 -0.698 . . . . 0.0 111.903 169.567 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 tm-20 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.8 -45.26 93.47 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.196 0.998 . . . . 0.0 111.597 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.99 -46.53 84.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.808 1.243 . . . . 0.0 111.548 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.52 -47.63 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.439 1.496 . . . . 0.0 110.479 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -68.12 -35.19 77.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -65.76 -47.38 75.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.484 1.114 . . . . 0.0 111.652 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.21 -26.11 67.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.797 1.239 . . . . 0.0 113.965 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.34 -41.0 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.928 -1.108 . . . . 0.0 112.436 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -61.2 -26.35 67.66 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 m -72.29 -15.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -98.49 -25.24 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.899 1.28 . . . . 0.0 113.071 171.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 175.007 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.363 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -146.15 162.76 37.27 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.501 1.52 . . . . 0.0 109.777 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.6 mt -120.75 150.69 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 125.736 1.614 . . . . 0.0 108.953 174.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.9 m -75.31 139.56 42.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.42 -1.425 . . . . 0.0 111.232 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.39 -42.08 81.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.163 -0.961 . . . . 0.0 112.85 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.0 -29.69 70.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -74.69 -43.11 56.81 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.39 -0.819 . . . . 0.0 111.852 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.452 ' HA ' HG22 ' A' ' 108' ' ' VAL . 10.7 tp -69.55 -37.22 76.96 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.149 0.886 . . . . 0.0 111.415 173.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -62.84 -35.3 79.49 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.139 0.881 . . . . 0.0 111.805 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -62.39 -65.28 0.71 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.608 169.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.5 m -56.25 -40.35 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 121.079 1.763 . . . . 0.0 112.733 -174.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 32.9 mmt -75.87 -14.35 60.28 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.3 p -117.44 -4.31 11.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.486 1.114 . . . . 0.0 113.473 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -101.82 -28.73 12.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.0 1.72 . . . . 0.0 113.352 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.95 142.54 47.74 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.128 1.371 . . . . 0.0 110.753 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.19 -147.15 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 114.896 0.719 . . . . 0.0 114.896 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.65 44.1 0.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.704 1.602 . . . . 0.0 113.598 -175.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -3.51 108.17 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 131.211 3.804 . . . . 0.0 114.948 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.57 143.25 56.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.32 161.21 22.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.573 1.149 . . . . 0.0 110.867 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -48.72 -46.98 41.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.83 1.652 . . . . 0.0 114.657 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -84.6 -23.79 29.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.07 0.948 . . . . 0.0 113.106 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -72.76 -41.45 65.06 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.25 1.42 . . . . 0.0 111.71 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.02 -35.75 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.493 0.717 . . . . 0.0 111.088 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -64.93 -39.73 93.97 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.705 -0.622 . . . . 0.0 111.441 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -59.12 -37.4 77.14 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 0.0 111.429 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 ttm -67.39 -40.97 85.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.958 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.35 -44.54 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.011 1.278 . . . . 0.0 110.34 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -57.31 -38.93 74.77 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.949 1.299 . . . . 0.0 112.68 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -47.12 49.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.894 1.277 . . . . 0.0 112.898 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.14 -28.17 22.64 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -168.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.4 t0 . . . . . 0 N--CA 1.478 0.958 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 179.637 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.312 0 N-CA-C 113.538 0.175 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.17 86.33 2.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.252 1.821 . . . . 0.0 108.693 -171.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.95 104.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.642 1.177 . . . . 0.0 110.817 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -84.72 82.7 8.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 122.145 0.974 . . . . 0.0 111.311 -169.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.61 ' O ' HG23 ' A' ' 142' ' ' VAL . 6.0 p90 -61.3 -29.63 69.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.77 -170.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.28 -39.53 90.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.776 1.626 . . . . 0.0 112.555 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -81.18 -33.47 33.0 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.474 0.71 . . . . 0.0 112.088 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -61.7 -40.63 95.69 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.403 -0.811 . . . . 0.0 112.38 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 138' ' ' TYR . 94.6 t -51.12 -60.4 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.54 1.136 . . . . 0.0 109.174 174.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.08 -23.67 60.57 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.622 -167.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.3 ttp -70.52 -46.58 63.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.518 1.127 . . . . 0.0 111.31 168.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.9 ttp -65.86 -33.61 76.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.641 1.176 . . . . 0.0 112.139 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 125.936 1.694 . . . . 0.0 115.126 176.482 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -51.03 -46.06 61.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.048 1.739 . . . . 0.0 113.059 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.89 -26.47 64.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -96.77 -29.85 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.369 1.068 . . . . 0.0 111.8 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 36.7 m -58.82 -40.77 85.12 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.701 1.201 . . . . 0.0 110.848 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.88 83.77 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.726 -0.609 . . . . 0.0 110.328 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.77 -43.55 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.624 -0.672 . . . . 0.0 111.441 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 11.8 mt -57.54 -43.56 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.788 0.835 . . . . 0.0 111.668 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.8 mt -68.99 -35.69 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.662 0.785 . . . . 0.0 110.468 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.39 -41.81 98.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.993 -1.067 . . . . 0.0 112.441 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -58.32 -49.06 78.53 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.198 0.999 . . . . 0.0 110.302 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.13 85.34 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.616 1.166 . . . . 0.0 113.059 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.4 t80 -69.84 -44.76 69.25 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.439 -0.788 . . . . 0.0 113.089 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -62.9 -26.82 68.98 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.143 -0.973 . . . . 0.0 112.246 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -47.46 86.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.379 1.072 . . . . 0.0 110.88 169.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -68.79 -34.83 76.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.235 1.014 . . . . 0.0 113.038 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.541 0.6 0 O-C-N 121.391 -0.818 . . . . 0.0 112.471 173.574 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.0 -45.19 64.41 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.168 0.987 . . . . 0.0 111.948 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -60.89 -45.46 94.49 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.47 -45.64 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.54 74.19 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.973 1.26 . . . . 0.0 113.17 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.68 -44.97 84.61 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.085 -1.01 . . . . 0.0 111.658 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -66.51 -36.45 82.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.733 0.813 . . . . 0.0 112.272 172.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.88 -49.43 75.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.257 1.423 . . . . 0.0 110.327 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.1 -54.46 41.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.466 0.706 . . . . 0.0 111.748 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.05 74.82 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -72.91 -49.78 27.61 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.919 . . . . 0.0 111.419 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -61.54 -25.93 67.62 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.416 1.086 . . . . 0.0 112.725 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.35 -22.86 21.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.404 1.482 . . . . 0.0 114.002 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' HG22 ' A' ' 35' ' ' VAL . 40.5 m-85 -118.29 0.74 11.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.106 1.762 . . . . 0.0 112.662 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.7 t0 . . . . . 0 CA--C 1.548 0.884 0 O-C-N 120.721 -1.237 . . . . 0.0 110.271 172.127 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.5 p30 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 30.68 28.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.19 1.376 . . . . 0.0 114.386 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -138.35 160.85 38.45 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.823 1.312 . . . . 0.0 114.258 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 pt -137.83 171.33 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.229 2.212 . . . . 0.0 110.639 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.8 p -82.51 159.3 22.87 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.365 1.078 . . . . 0.0 112.855 169.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.432 ' HB ' HD13 ' A' ' 52' ' ' ILE . 24.3 p -59.59 -29.48 67.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.543 1.137 . . . . 0.0 112.551 169.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -67.18 -40.67 86.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.681 1.192 . . . . 0.0 112.739 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -77.23 -15.19 59.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.759 1.224 . . . . 0.0 114.279 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -57.87 5.52 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.621 1.168 . . . . 0.0 111.583 -177.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.39 -22.08 74.58 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.507 -0.746 . . . . 0.0 113.965 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -73.6 -42.13 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.798 1.239 . . . . 0.0 111.135 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG22 ' CD2' ' A' ' 19' ' ' PHE . 53.5 t -64.93 -38.36 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.82 1.248 . . . . 0.0 110.929 173.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.5 mtp -63.34 -44.01 96.09 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.071 -1.018 . . . . 0.0 112.287 170.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -65.93 -27.15 67.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -62.16 -31.28 71.76 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.817 0.735 . . . . 0.0 112.265 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -88.03 4.72 44.1 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.186 1.794 . . . . 0.0 113.84 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.24 -6.81 62.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.518 1.533 . . . . 0.0 116.022 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.45 131.87 35.21 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.206 1.503 . . . . 0.0 109.876 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -123.7 68.77 43.41 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.795 -166.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -66.66 155.04 72.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.02 3.147 . . . . 0.0 112.993 -173.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.6 m -75.44 154.0 37.31 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.699 1.2 . . . . 0.0 111.761 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.47 -43.34 97.04 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.294 -1.504 . . . . 0.0 113.235 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.19 75.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.485 -0.759 . . . . 0.0 112.623 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.95 -42.59 84.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 111.625 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.36 -47.39 85.59 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.867 0.867 . . . . 0.0 111.177 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.51 -40.22 96.04 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.469 0.577 . . . . 0.0 112.004 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.69 -38.22 90.31 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.102 0.865 . . . . 0.0 112.521 176.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.7 mtm -67.37 -40.54 85.74 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.365 -0.835 . . . . 0.0 112.335 170.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.432 HD13 ' HB ' ' A' ' 29' ' ' THR . 58.1 mt -67.05 -31.46 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.476 1.035 . . . . 0.0 111.612 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.8 -30.2 69.91 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.768 1.167 . . . . 0.0 112.383 173.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -84.04 -48.65 9.69 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.989 1.315 . . . . 0.0 112.495 172.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.2 t -73.49 -41.43 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.768 1.627 . . . . 0.0 113.11 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -108.57 47.81 0.89 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.016 1.727 . . . . 0.0 112.248 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.01 63.48 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.15 0.4 57.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 114.167 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.11 40.86 71.67 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 120.875 -1.14 . . . . 0.0 115.426 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -76.37 -23.36 54.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.224 1.41 . . . . 0.0 113.296 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.77 15.54 77.99 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.681 1.61 . . . . 0.0 114.346 -169.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -138.39 160.6 39.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 113.538 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.98 137.14 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.173 2.189 . . . . 0.0 108.748 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.58 155.6 18.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.566 0.746 . . . . 0.0 111.378 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -44.54 -52.43 17.64 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.02 -29.95 26.54 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 121.986 1.791 . . . . 0.0 113.822 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.2 -31.26 65.72 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.318 -0.863 . . . . 0.0 111.672 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -66.74 -46.77 74.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.614 0.766 . . . . 0.0 111.247 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.92 -35.19 76.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.398 0.999 . . . . 0.0 112.275 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -40.25 63.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.032 1.333 . . . . 0.0 112.56 171.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 ptp -83.92 -33.38 24.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.31 0.959 . . . . 0.0 113.339 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.4 -32.97 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.619 -0.676 . . . . 0.0 112.784 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.796 0 CA-C-N 118.785 0.721 . . . . 0.0 112.211 171.739 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.4 -44.2 65.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.979 0.912 . . . . 0.0 111.465 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.24 -44.54 75.45 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.377 0.671 . . . . 0.0 112.156 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.71 -44.5 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 123.944 0.898 . . . . 0.0 110.524 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -58.83 -45.95 88.83 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.289 0.95 . . . . 0.0 112.191 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -69.89 -39.13 76.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.137 0.88 . . . . 0.0 112.717 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.51 65.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.719 1.207 . . . . 0.0 113.434 173.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -79.52 -42.18 25.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.046 -1.034 . . . . 0.0 110.826 167.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -60.38 -26.38 66.59 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.261 1.024 . . . . 0.0 113.761 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.6 m -68.8 -25.98 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.9 m-85 -90.33 -26.24 20.06 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.458 1.103 . . . . 0.0 112.718 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.6 t0 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 110.528 174.45 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.347 0 N-CA-C 114.283 0.473 . . . . 0.0 114.283 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -147.07 165.47 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.82 1.248 . . . . 0.0 111.136 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.0 mt -125.39 153.14 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.259 1.823 . . . . 0.0 109.114 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.77 142.83 40.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.076 -1.64 . . . . 0.0 110.654 172.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.88 74.7 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.037 -1.039 . . . . 0.0 112.958 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.18 -27.17 68.51 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.89 -44.12 56.31 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.975 0.91 . . . . 0.0 111.576 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.83 -39.06 80.21 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.596 0.634 . . . . 0.0 111.107 173.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -61.3 -38.84 88.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.304 0.642 . . . . 0.0 111.872 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.24 -64.66 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.412 0.551 . . . . 0.0 110.509 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 11.8 p -62.38 -38.2 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.908 0.776 . . . . 0.0 112.345 -171.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.1 mmt -69.34 -15.51 63.34 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -115.97 0.17 12.97 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.016 1.326 . . . . 0.0 113.693 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -112.72 -31.88 6.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.074 1.749 . . . . 0.0 113.182 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.696 HD12 HG23 ' A' ' 108' ' ' VAL . 29.8 mt -132.64 148.44 52.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.272 1.429 . . . . 0.0 111.036 -171.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.29 -140.23 30.56 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.976 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.42 -7.66 53.67 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt 50.55 93.47 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.067 2.547 . . . . 0.0 113.908 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.38 151.28 28.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.34 1.056 . . . . 0.0 112.061 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 159.86 24.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.802 0.841 . . . . 0.0 110.601 170.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.01 -39.22 81.2 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -77.63 -33.98 53.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.361 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.52 -40.41 89.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.836 1.654 . . . . 0.0 112.092 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.53 -31.92 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 111.971 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -37.23 84.56 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.633 -1.292 . . . . 0.0 111.402 174.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.46 -33.87 70.22 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.704 0.802 . . . . 0.0 111.548 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.7 ttm -66.75 -51.18 58.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.743 0.817 . . . . 0.0 110.945 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.02 -43.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.986 0.812 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -65.18 -20.61 66.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.435 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -110.55 -24.75 10.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.33 32.78 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.181 0.993 . . . . 0.0 113.386 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.14 -0.975 . . . . 0.0 110.951 174.321 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 CA-C-O 119.777 -0.457 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -118.53 91.33 3.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.095 1.358 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.2 104.02 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.791 1.237 . . . . 0.0 110.874 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -83.16 96.43 8.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.406 1.098 . . . . 0.0 110.981 -177.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.57 -26.13 65.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.96 -174.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -68.96 -31.4 70.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.192 1.36 . . . . 0.0 112.731 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.91 -43.99 42.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.462 -0.774 . . . . 0.0 110.44 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -64.29 -43.83 93.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.746 1.218 . . . . 0.0 113.985 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.01 -50.76 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.609 1.164 . . . . 0.0 111.145 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.9 -26.07 63.06 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.3 ttp -69.27 -46.96 65.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.668 0.667 . . . . 0.0 111.412 168.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -64.91 -43.59 92.33 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.392 0.542 . . . . 0.0 112.441 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -172.633 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -51.63 -42.58 62.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.797 1.639 . . . . 0.0 112.308 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 56.2 tt0 -69.6 -24.61 63.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.8 m -104.43 -28.25 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.671 1.189 . . . . 0.0 112.588 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.9 m -59.09 -38.21 78.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.145 0.978 . . . . 0.0 110.993 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.74 -40.4 75.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 110.816 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.17 -39.77 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.859 -1.15 . . . . 0.0 111.814 -175.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.3 mt -58.94 -41.46 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.212 1.005 . . . . 0.0 111.368 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.1 mt -71.38 -38.8 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.881 0.872 . . . . 0.0 110.815 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.81 -41.16 86.12 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.196 0.907 . . . . 0.0 111.814 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -58.58 -53.93 52.83 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.843 0.747 . . . . 0.0 111.274 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.74 83.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.116 0.966 . . . . 0.0 112.901 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.98 -53.69 29.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.71 -30.34 70.69 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.804 -0.56 . . . . 0.0 111.679 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -51.29 70.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.984 0.914 . . . . 0.0 111.062 169.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.87 -35.19 79.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.027 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.32 -43.93 69.29 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.119 0.968 . . . . 0.0 112.218 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -61.24 -44.18 97.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.663 0.665 . . . . 0.0 111.219 172.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.17 -42.41 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.249 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.05 78.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.009 1.277 . . . . 0.0 112.756 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.5 -44.8 81.58 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.853 -1.155 . . . . 0.0 111.786 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -65.56 -35.1 79.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.563 0.745 . . . . 0.0 112.187 172.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.37 -50.69 73.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.607 1.563 . . . . 0.0 111.339 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.61 -49.75 72.07 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.603 0.761 . . . . 0.0 111.99 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.34 72.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -75.51 -51.52 12.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.259 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -63.33 -17.52 62.65 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.4 tp -55.04 -22.91 17.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.607 1.563 . . . . 0.0 114.268 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD1' HG12 ' A' ' 35' ' ' VAL . 32.6 m-85 -126.0 6.59 7.26 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.44 1.496 . . . . 0.0 113.26 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 124.83 1.252 . . . . 0.0 110.29 173.427 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 25.49 54.23 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 120.931 -1.106 . . . . 0.0 113.765 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 p -141.12 159.04 43.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.033 1.333 . . . . 0.0 112.502 -174.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.81 165.94 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.1 1.76 . . . . 0.0 110.001 172.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -79.88 159.17 26.5 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.195 0.998 . . . . 0.0 112.312 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.3 p -62.85 -17.14 61.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.104 0.962 . . . . 0.0 112.652 169.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.0 -42.33 24.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.608 1.163 . . . . 0.0 112.465 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -72.59 -18.63 61.59 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.14 -59.58 2.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.808 1.243 . . . . 0.0 112.201 -175.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.8 -21.68 73.28 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.733 -0.604 . . . . 0.0 113.967 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 m -71.17 -40.2 71.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.466 -1.02 . . . . 0.0 110.664 170.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.592 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.304 1.3 m -72.36 -35.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.941 0.791 . . . . 0.0 112.283 173.833 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.7 mtp -59.01 -34.13 71.52 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.309 1.413 . . . . 0.0 112.859 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -68.18 -24.95 65.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -67.19 -33.4 75.31 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.329 0.968 . . . . 0.0 111.23 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.78 12.9 2.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.782 1.233 . . . . 0.0 113.965 168.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.83 74.23 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 117.177 1.631 . . . . 0.0 117.177 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -138.05 135.28 35.71 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.749 1.775 . . . . 0.0 113.186 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 9.9 t30 -90.04 106.37 14.33 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.301 0.641 . . . . 0.0 111.471 169.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 42' ' ' ASN . 95.4 Cg_endo -68.57 145.94 65.86 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.01 2.473 . . . . 0.0 111.427 168.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -68.42 150.25 48.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.162 0.985 . . . . 0.0 110.32 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -61.08 -30.5 70.38 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.355 -1.465 . . . . 0.0 113.132 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.14 -36.49 81.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.034 0.934 . . . . 0.0 112.92 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.78 -47.49 71.99 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.55 -0.719 . . . . 0.0 110.445 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -57.9 -45.74 86.01 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.091 0.556 . . . . 0.0 111.458 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.55 -43.13 93.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.348 0.659 . . . . 0.0 112.098 176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -66.58 -42.81 86.41 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.519 -0.738 . . . . 0.0 112.566 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 111.923 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.68 -29.34 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.321 -0.862 . . . . 0.0 111.442 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -65.18 -28.33 69.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.427 1.467 . . . . 0.0 113.017 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -74.93 -48.82 22.6 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.429 1.013 . . . . 0.0 111.774 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.42 -46.23 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 113.476 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -107.11 55.38 0.65 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.899 1.679 . . . . 0.0 112.593 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.81 -23.03 64.76 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.246 -0.909 . . . . 0.0 113.337 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -81.83 -15.1 55.2 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.99 1.316 . . . . 0.0 114.094 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.83 27.89 73.52 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.295 0.95 . . . . 0.0 114.352 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -18.55 57.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.26 1.424 . . . . 0.0 114.462 -174.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.53 10.62 85.05 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.438 1.494 . . . . 0.0 116.259 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 p -132.16 160.81 34.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.529 1.664 . . . . 0.0 114.455 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -132.54 134.77 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 128.113 2.565 . . . . 0.0 108.577 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.67 157.23 19.14 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.896 0.771 . . . . 0.0 111.555 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -45.43 -55.83 11.03 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.14 -22.51 30.26 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.801 1.667 . . . . 0.0 113.604 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.26 -26.11 52.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.53 -0.731 . . . . 0.0 112.32 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.93 -39.06 76.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.228 0.922 . . . . 0.0 111.968 169.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.88 -21.28 64.58 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 t -59.85 -35.11 74.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ptp -88.24 -31.32 19.1 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.918 -0.489 . . . . 0.0 111.645 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.89 -32.26 73.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.897 0.771 . . . . 0.0 112.595 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 123.353 0.661 . . . . 0.0 112.17 169.3 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.18 -37.57 81.09 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.542 -0.724 . . . . 0.0 112.256 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.39 90.44 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.67 -0.644 . . . . 0.0 111.548 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.05 -47.58 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.61 0.764 . . . . 0.0 110.542 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -57.27 -46.12 83.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.33 0.968 . . . . 0.0 111.913 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -65.47 -42.3 92.41 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.035 0.834 . . . . 0.0 112.657 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.52 -22.75 64.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 113.714 175.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.34 -41.23 34.18 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.91 -1.119 . . . . 0.0 111.01 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.01 -26.4 68.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.91 -21.2 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.07 -27.07 15.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.078 1.351 . . . . 0.0 113.097 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.8 t0 . . . . . 0 N--CA 1.473 0.694 0 C-N-CA 124.034 0.934 . . . . 0.0 109.804 172.408 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 CA-C-O 120.019 -0.323 . . . . 0.0 113.705 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.65 162.5 41.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.426 1.091 . . . . 0.0 112.315 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.54 139.85 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.308 1.843 . . . . 0.0 109.421 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -68.25 143.65 55.19 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.524 -1.36 . . . . 0.0 112.309 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.07 85.62 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.36 -0.837 . . . . 0.0 112.79 -176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.78 72.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.526 0.73 . . . . 0.0 112.829 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -74.09 -44.62 53.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.635 0.774 . . . . 0.0 111.809 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 108' ' ' VAL . 9.8 tp -68.88 -36.13 77.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.781 0.719 . . . . 0.0 111.149 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -63.08 -36.5 83.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.755 1.162 . . . . 0.0 112.032 169.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.4 -64.08 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.917 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.4 m -57.52 -40.42 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.863 1.665 . . . . 0.0 112.722 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.0 mmt -75.91 -10.23 59.26 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -122.32 -4.6 8.88 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -99.95 -26.15 14.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.847 1.659 . . . . 0.0 113.507 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.9 mt -134.48 152.6 51.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.099 1.36 . . . . 0.0 111.14 -168.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.26 -142.59 36.06 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 114.53 0.572 . . . . 0.0 114.53 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -81.04 8.41 8.59 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 42.64 104.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 129.638 3.175 . . . . 0.0 114.891 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.9 144.35 57.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.644 0.777 . . . . 0.0 110.808 170.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.7 159.29 30.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.097 0.559 . . . . 0.0 109.963 171.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.74 -31.71 64.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -83.99 -26.83 28.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.817 0.847 . . . . 0.0 112.952 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -77.82 -40.5 40.24 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.922 1.689 . . . . 0.0 111.537 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.19 -32.52 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.88 0.872 . . . . 0.0 110.992 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.31 -38.4 81.56 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 111.719 170.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.24 -38.25 76.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.652 0.66 . . . . 0.0 110.852 169.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.17 -56.01 22.99 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.198 170.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.57 -40.02 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 121.012 1.733 . . . . 0.0 111.225 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -52.8 -35.02 56.21 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.904 1.681 . . . . 0.0 113.758 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -109.88 -15.92 13.98 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -90.82 -33.58 15.63 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.343 1.857 . . . . 0.0 113.02 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 126.056 1.743 . . . . 0.0 111.388 172.218 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 N-CA-C 113.701 0.24 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -126.82 89.68 3.03 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.935 1.694 . . . . 0.0 109.372 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.706 HG13 ' HB1' ' A' ' 128' ' ' ALA . 28.7 t -66.43 124.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.242 0.617 . . . . 0.0 110.421 177.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.55 94.41 8.18 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.992 0.901 . . . . 0.0 110.863 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.29 -28.57 68.8 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.798 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.52 -27.51 67.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.508 1.049 . . . . 0.0 112.779 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -88.8 -39.6 13.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.686 1.194 . . . . 0.0 111.671 168.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.72 -43.43 90.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.35 1.06 . . . . 0.0 112.569 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.6 p -56.51 -39.19 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.43 1.092 . . . . 0.0 112.472 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.87 -49.34 59.09 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.237 0.615 . . . . 0.0 110.654 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.92 -43.27 86.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.286 0.634 . . . . 0.0 112.308 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.0 ttp -67.91 -32.0 72.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.621 1.568 . . . . 0.0 112.961 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.26 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.0 tp60 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.79 -47.86 73.44 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.15 1.38 . . . . 0.0 111.809 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.38 -28.76 68.2 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.7 m -95.81 -30.07 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.229 1.012 . . . . 0.0 112.024 -173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 60.6 m -59.89 -40.69 89.57 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.351 1.06 . . . . 0.0 110.673 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.95 77.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.725 -0.609 . . . . 0.0 110.858 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.83 -37.66 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 120.995 -1.066 . . . . 0.0 112.197 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.23 -45.18 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.297 1.039 . . . . 0.0 110.758 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.46 -41.0 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.443 1.097 . . . . 0.0 111.072 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.94 -48.69 77.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.608 1.163 . . . . 0.0 111.68 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.23 -45.73 79.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.525 1.13 . . . . 0.0 111.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.17 82.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 45.4 t80 -67.42 -49.78 62.29 Favored 'General case' 0 C--O 1.23 0.071 0 O-C-N 121.41 -0.806 . . . . 0.0 111.926 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -65.82 -26.79 67.83 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.545 -0.722 . . . . 0.0 112.429 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -63.08 -43.05 99.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.982 0.913 . . . . 0.0 110.927 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.55 -39.51 91.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.335 0.654 . . . . 0.0 112.478 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.543 0.71 0 O-C-N 121.103 -0.998 . . . . 0.0 112.193 173.069 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -68.07 -42.46 80.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.162 0.985 . . . . 0.0 112.202 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.67 -41.96 95.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.661 0.784 . . . . 0.0 110.83 173.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.39 -44.68 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.222 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.55 74.69 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.42 1.009 . . . . 0.0 112.875 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.55 -44.79 81.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.793 -1.192 . . . . 0.0 111.709 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -68.74 -33.91 74.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.702 0.801 . . . . 0.0 112.218 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.91 -52.71 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.221 1.808 . . . . 0.0 111.048 173.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.01 -50.44 68.51 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.058 0.543 . . . . 0.0 111.761 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.93 74.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -73.28 -48.11 37.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.843 0.857 . . . . 0.0 111.637 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -59.98 -27.05 66.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.287 1.035 . . . . 0.0 112.405 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.91 -21.96 33.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.298 1.439 . . . . 0.0 114.146 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HG22 ' A' ' 35' ' ' VAL . 60.0 m-85 -120.15 4.04 10.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.864 1.666 . . . . 0.0 113.092 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 125.645 1.578 . . . . 0.0 110.823 172.727 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 24.53 61.62 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.806 1.193 . . . . 0.0 114.321 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -141.99 158.88 43.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.7 1.2 . . . . 0.0 113.127 -174.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -133.42 168.8 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.28 1.832 . . . . 0.0 110.817 174.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -80.94 158.57 25.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.121 0.963 . . . . 0.0 111.887 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 p -59.7 -30.47 68.82 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.584 0.754 . . . . 0.0 112.437 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.01 -40.03 68.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.786 0.834 . . . . 0.0 112.519 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.63 -15.16 61.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.01 -47.33 71.62 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.908 1.231 . . . . 0.0 112.149 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.4 76.76 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 118.826 0.739 . . . . 0.0 113.48 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -66.1 -41.08 91.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.848 1.324 . . . . 0.0 111.313 172.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 19' ' ' PHE . 55.7 t -64.68 -41.47 92.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.347 1.059 . . . . 0.0 110.977 174.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.7 mtp -62.09 -42.12 98.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.994 -1.066 . . . . 0.0 112.265 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -67.48 -31.0 70.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.049 0.94 . . . . 0.0 112.701 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.5 t -62.8 -33.06 74.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.516 0.726 . . . . 0.0 111.974 169.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.4 mt -82.47 5.87 19.21 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.051 1.74 . . . . 0.0 114.145 170.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.23 -4.43 67.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.482 1.515 . . . . 0.0 115.788 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.29 115.86 23.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.922 1.361 . . . . 0.0 108.923 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -103.65 86.51 1.19 Allowed Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 121.491 -0.756 . . . . 0.0 110.971 176.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.1 153.39 57.27 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.761 2.307 . . . . 0.0 111.057 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -83.99 161.21 20.83 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.196 -0.94 . . . . 0.0 111.637 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.88 -36.35 83.03 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.828 -1.795 . . . . 0.0 113.187 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.59 63.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -87.3 -36.48 17.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.225 1.81 . . . . 0.0 111.551 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.3 mt -58.59 -45.39 89.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.969 0.908 . . . . 0.0 110.905 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -61.32 -36.46 80.19 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.09 -28.05 68.53 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.1 mtm -85.03 -42.57 14.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 112.419 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.27 -28.46 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -59.71 -19.69 51.55 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 121.02 1.736 . . . . 0.0 113.775 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.5 -28.62 59.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.397 1.479 . . . . 0.0 113.513 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 m -105.37 -37.53 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.832 1.653 . . . . 0.0 113.815 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -89.37 30.91 0.94 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.233 1.813 . . . . 0.0 112.243 173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.02 67.96 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.995 -1.066 . . . . 0.0 113.239 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -84.97 -7.85 58.98 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.213 1.405 . . . . 0.0 113.698 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.7 11.5 73.19 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.325 1.441 . . . . 0.0 116.007 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -76.97 -7.12 55.03 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.896 1.848 . . . . 0.0 114.961 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.71 13.33 80.52 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 120.879 -1.138 . . . . 0.0 115.635 171.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -136.69 158.74 43.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.092 1.357 . . . . 0.0 113.195 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.4 mt -139.45 138.45 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 0.0 108.963 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.7 159.58 17.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.734 0.814 . . . . 0.0 112.074 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -46.38 -56.98 9.46 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.93 -21.11 21.4 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.857 1.705 . . . . 0.0 113.074 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.44 -42.62 71.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.53 0.605 . . . . 0.0 111.017 173.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.59 -40.06 86.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.337 -0.852 . . . . 0.0 112.442 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -64.26 -19.17 65.21 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -37.45 84.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.909 0.777 . . . . 0.0 112.492 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -84.18 -33.46 24.19 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.763 -0.586 . . . . 0.0 112.144 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.5 mmm -63.54 -38.45 91.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.485 0.584 . . . . 0.0 111.624 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 173.412 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.84 -33.81 76.42 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.638 -0.664 . . . . 0.0 112.19 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -68.99 -44.82 72.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.815 -0.553 . . . . 0.0 111.569 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.6 -46.22 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.883 0.873 . . . . 0.0 110.02 174.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -48.93 79.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 111.003 178.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.52 -44.81 93.19 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.558 -0.713 . . . . 0.0 112.472 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.73 80.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.701 1.2 . . . . 0.0 112.892 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.66 -43.53 75.99 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.282 -0.887 . . . . 0.0 112.014 172.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -63.14 -23.17 67.31 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.438 -0.789 . . . . 0.0 112.951 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -62.73 -38.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.952 1.301 . . . . 0.0 111.345 167.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.07 -17.98 33.64 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.264 1.426 . . . . 0.0 114.521 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 CA--C 1.547 0.855 0 O-C-N 121.35 -0.843 . . . . 0.0 109.244 169.485 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.488 0 CA-C-O 119.803 -0.443 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.86 161.64 40.56 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.388 1.094 . . . . 0.0 112.784 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -128.34 139.43 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.747 1.619 . . . . 0.0 109.461 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -66.32 141.76 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.496 -1.377 . . . . 0.0 111.8 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.1 93.2 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.099 -1.001 . . . . 0.0 112.665 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.04 73.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.395 0.678 . . . . 0.0 112.691 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -73.91 -45.49 50.32 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.64 0.776 . . . . 0.0 111.902 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.465 HD22 HG11 ' A' ' 136' ' ' VAL . 11.0 tp -67.97 -34.14 75.99 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.16 0.891 . . . . 0.0 111.268 174.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 -61.91 -45.13 95.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.677 1.126 . . . . 0.0 110.761 168.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -57.55 -57.88 10.75 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.941 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.0 m -58.29 -40.91 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 120.586 1.539 . . . . 0.0 111.715 -178.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.6 mmt -75.59 -14.83 60.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 p -116.11 4.83 13.7 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -105.72 -23.7 12.68 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.734 1.214 . . . . 0.0 113.055 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.89 164.14 27.94 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.972 1.309 . . . . 0.0 111.397 -167.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.39 50.72 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 121.914 0.73 . . . . 0.0 113.508 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -69.15 -12.15 61.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.846 1.658 . . . . 0.0 114.443 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.34 135.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.948 2.499 . . . . 0.0 113.102 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 mt -92.42 151.78 20.06 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.217 1.007 . . . . 0.0 110.033 167.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -67.91 160.59 28.21 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.206 1.002 . . . . 0.0 110.685 170.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -56.09 -44.9 79.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.572 1.149 . . . . 0.0 113.934 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.3 -33.05 64.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.269 -0.894 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.457 1.503 . . . . 0.0 112.297 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.94 -31.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.927 0.891 . . . . 0.0 112.027 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.03 -36.08 77.36 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.941 -1.1 . . . . 0.0 111.762 170.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.08 -29.55 68.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.943 0.897 . . . . 0.0 112.087 171.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.1 ttm -66.46 -55.77 14.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.71 0.686 . . . . 0.0 110.047 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.49 -36.01 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.945 0.793 . . . . 0.0 111.784 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -53.51 -41.51 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.86 1.264 . . . . 0.0 113.419 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -42.1 11.28 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 111.72 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -64.86 -33.65 76.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.432 1.893 . . . . 0.0 112.447 -170.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.589 1.155 . . . . 0.0 110.303 168.774 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 113.915 0.326 . . . . 0.0 113.915 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -129.57 101.78 6.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.393 1.477 . . . . 0.0 110.86 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 105' ' ' LEU . 13.7 t -69.36 130.49 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.516 0.674 . . . . 0.0 110.663 173.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.96 80.84 2.53 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.264 1.03 . . . . 0.0 111.752 173.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -57.91 -28.92 64.67 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.448 -173.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.73 -33.13 74.5 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.294 1.037 . . . . 0.0 112.654 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.28 -38.24 27.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.377 0.671 . . . . 0.0 111.193 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.49 -39.54 92.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.889 0.876 . . . . 0.0 113.12 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.39 -45.88 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.836 0.744 . . . . 0.0 111.411 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -66.19 -37.15 84.91 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.618 0.767 . . . . 0.0 111.704 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.09 -46.53 70.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.675 0.79 . . . . 0.0 112.754 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.47 -38.22 90.26 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.129 0.877 . . . . 0.0 111.926 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 178.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.39 -50.06 72.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.877 0.871 . . . . 0.0 111.793 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -64.24 -24.8 67.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.611 1.164 . . . . 0.0 114.1 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.2 m -98.97 -33.0 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.431 1.092 . . . . 0.0 112.375 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -54.98 -41.99 71.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.651 1.181 . . . . 0.0 110.6 171.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.44 76.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.634 -0.666 . . . . 0.0 111.779 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.29 -37.01 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.255 0.934 . . . . 0.0 111.916 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -59.58 -41.67 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.772 1.229 . . . . 0.0 110.939 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.45 -37.88 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.399 1.08 . . . . 0.0 111.057 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.867 1.212 . . . . 0.0 111.665 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.09 -57.09 13.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.651 1.181 . . . . 0.0 110.965 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.95 72.54 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.841 0.856 . . . . 0.0 112.839 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -69.89 -51.45 33.06 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -66.62 -23.56 66.19 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.955 -1.09 . . . . 0.0 112.495 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.91 -48.2 75.0 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.486 1.114 . . . . 0.0 110.072 168.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.7 -30.82 71.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.226 1.41 . . . . 0.0 114.19 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.6 mt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 123.746 0.818 . . . . 0.0 113.047 173.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.89 -40.35 75.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.04 0.936 . . . . 0.0 112.575 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.11 -43.56 94.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.404 0.682 . . . . 0.0 110.644 172.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.46 -45.68 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.633 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.36 90.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.891 0.769 . . . . 0.0 112.666 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.25 -46.07 82.02 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.185 -0.947 . . . . 0.0 111.783 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.32 -33.91 77.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.463 0.705 . . . . 0.0 112.062 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -55.31 -53.33 57.51 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.09 1.756 . . . . 0.0 111.125 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -66.17 -49.61 66.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.677 0.791 . . . . 0.0 111.728 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.98 73.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -73.48 -48.39 33.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.89 0.768 . . . . 0.0 111.566 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.0 t -61.89 -28.76 69.74 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.269 1.028 . . . . 0.0 113.08 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.53 -19.77 6.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.572 1.549 . . . . 0.0 114.351 170.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CD1' HG22 ' A' ' 35' ' ' VAL . 38.7 m-85 -126.01 8.14 7.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.626 1.171 . . . . 0.0 113.462 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 124.382 1.073 . . . . 0.0 111.001 179.861 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.15 60.75 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.903 1.24 . . . . 0.0 113.48 -171.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -142.17 151.35 42.13 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.567 1.184 . . . . 0.0 113.48 -175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 pt -124.7 171.75 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 126.835 2.054 . . . . 0.0 110.89 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -86.08 159.72 19.48 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 122.329 1.061 . . . . 0.0 112.446 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -62.43 -21.57 65.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.532 1.133 . . . . 0.0 113.024 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.74 -43.55 46.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.352 1.061 . . . . 0.0 112.527 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.53 -13.18 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.85 -57.2 6.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.945 1.248 . . . . 0.0 111.728 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.68 -27.4 71.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.141 -0.974 . . . . 0.0 113.342 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.6 m -74.23 -35.18 63.85 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.15 0.98 . . . . 0.0 111.797 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 19' ' ' PHE . 52.2 t -63.76 -41.41 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.532 0.733 . . . . 0.0 110.305 169.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.6 mtp -63.51 -41.85 98.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.145 -0.972 . . . . 0.0 112.292 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -61.07 -37.39 82.49 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.28 1.032 . . . . 0.0 112.648 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.49 -32.88 73.86 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.955 0.902 . . . . 0.0 112.372 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.7 mt -80.56 6.84 11.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.502 1.521 . . . . 0.0 114.298 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.85 16.96 66.6 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 0.0 115.615 172.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -132.73 125.45 30.23 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.902 1.351 . . . . 0.0 111.462 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.12 92.87 5.86 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.428 1.091 . . . . 0.0 111.862 -175.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.87 152.26 68.7 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.611 2.874 . . . . 0.0 112.421 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -69.9 159.65 33.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.773 0.829 . . . . 0.0 112.042 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -60.2 -31.7 70.39 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.181 -0.949 . . . . 0.0 112.483 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 -44.86 73.56 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.987 0.915 . . . . 0.0 112.219 174.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.83 -45.06 95.45 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.776 0.83 . . . . 0.0 111.957 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.93 -46.03 91.12 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.743 -0.598 . . . . 0.0 111.442 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.8 -41.66 91.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.516 0.726 . . . . 0.0 111.897 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.17 -44.96 95.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.826 0.85 . . . . 0.0 112.63 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -67.84 -40.19 83.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.644 -0.66 . . . . 0.0 112.124 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.1 -29.04 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.8 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.78 -28.9 70.31 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.305 1.411 . . . . 0.0 112.902 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -83.34 -44.33 14.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.495 0.718 . . . . 0.0 112.635 171.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -73.41 -40.06 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.568 1.147 . . . . 0.0 113.908 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -118.73 46.83 1.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.773 1.629 . . . . 0.0 112.712 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.67 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -87.31 -4.82 59.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.63 40.72 58.53 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.031 -1.043 . . . . 0.0 115.277 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.36 -23.59 54.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.144 1.378 . . . . 0.0 113.091 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.43 16.74 77.43 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.791 1.662 . . . . 0.0 114.625 -172.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.1 p -137.83 159.05 43.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.263 1.425 . . . . 0.0 113.563 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -141.07 137.32 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.982 2.113 . . . . 0.0 108.727 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.13 157.55 18.26 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.831 0.741 . . . . 0.0 111.64 172.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.78 -55.72 13.9 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -21.96 30.49 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 121.936 1.757 . . . . 0.0 113.453 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -72.97 -40.53 65.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.815 0.734 . . . . 0.0 111.235 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.87 -39.99 91.28 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.494 -0.754 . . . . 0.0 112.182 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -63.26 -19.22 64.37 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.312 -0.867 . . . . 0.0 113.164 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -35.66 81.12 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.295 0.952 . . . . 0.0 112.8 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.73 -36.18 23.87 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.85 -0.531 . . . . 0.0 111.353 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.11 -24.86 66.76 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.181 0.901 . . . . 0.0 113.124 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 123.765 0.826 . . . . 0.0 112.818 169.88 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -65.16 -35.6 81.6 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.961 0.905 . . . . 0.0 112.009 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.85 -43.11 80.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.601 -0.687 . . . . 0.0 111.718 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.71 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 123.182 0.593 . . . . 0.0 110.107 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -59.25 -44.65 92.38 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.154 0.888 . . . . 0.0 112.484 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.53 -46.55 85.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.093 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.15 -21.34 65.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.582 1.553 . . . . 0.0 113.944 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.34 -42.38 20.63 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.253 -0.905 . . . . 0.0 112.541 169.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ttp-105 -62.12 -25.97 68.03 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.109 -0.994 . . . . 0.0 113.446 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.07 -19.46 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.9 m-85 -95.44 -22.42 17.71 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.401 1.08 . . . . 0.0 112.805 173.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 124.393 1.077 . . . . 0.0 110.413 173.648 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.277 0 N-CA-C 113.571 0.188 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.36 164.38 35.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.533 1.133 . . . . 0.0 111.974 -178.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -129.21 144.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.025 1.73 . . . . 0.0 108.942 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.7 t -65.42 144.42 57.07 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.211 -1.556 . . . . 0.0 111.338 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.29 69.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.47 79.67 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.271 0.628 . . . . 0.0 112.164 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -72.06 -43.73 64.43 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.457 0.703 . . . . 0.0 112.383 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.35 -40.2 77.65 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.936 0.789 . . . . 0.0 110.9 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -58.37 -45.79 87.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.051 0.841 . . . . 0.0 111.345 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -54.99 -59.21 5.06 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.234 0.614 . . . . 0.0 111.364 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.721 HG23 HD12 ' A' ' 112' ' ' LEU . 11.3 p -65.04 -34.87 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.998 0.817 . . . . 0.0 112.264 -175.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -71.45 -15.53 62.34 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -116.47 8.08 13.95 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 169.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -108.85 -44.68 3.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.967 1.307 . . . . 0.0 111.718 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.721 HD12 HG23 ' A' ' 108' ' ' VAL . 54.4 mt -121.13 146.82 46.35 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.091 1.357 . . . . 0.0 111.865 -168.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.88 -148.84 43.73 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.149 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -69.54 -6.36 30.34 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 54.63 108.52 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.266 2.626 . . . . 0.0 114.358 -173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.12 149.43 46.45 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.782 -0.574 . . . . 0.0 110.539 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.76 161.78 25.33 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.974 . . . . 0.0 110.852 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -56.02 -45.76 79.02 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.63 -1.294 . . . . 0.0 114.143 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.41 -31.99 64.18 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.147 -0.97 . . . . 0.0 112.268 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.0 -40.31 71.9 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.801 1.64 . . . . 0.0 112.264 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 p -75.04 -30.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.168 0.987 . . . . 0.0 111.662 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -70.71 -35.94 72.98 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.855 -1.153 . . . . 0.0 112.181 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.32 -30.69 68.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.953 0.901 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 ttm -67.47 -55.83 12.02 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.458 0.703 . . . . 0.0 109.819 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -57.08 -37.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.271 0.941 . . . . 0.0 111.562 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -50.34 -38.97 44.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.74 1.216 . . . . 0.0 113.807 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -110.09 -20.48 12.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.275 1.43 . . . . 0.0 114.141 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -77.15 -38.67 51.36 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.918 1.687 . . . . 0.0 112.333 173.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 111.32 171.693 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.392 0 N-CA-C 113.956 0.342 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -121.87 90.11 3.25 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.541 1.536 . . . . 0.0 109.199 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 128' ' ' ALA . 24.0 t -65.53 120.65 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 174.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -92.15 96.16 10.16 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.807 0.813 . . . . 0.0 110.502 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' O ' HG23 ' A' ' 142' ' ' VAL . 2.4 p90 -64.51 -32.44 74.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.751 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -60.13 -39.15 85.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.576 1.535 . . . . 0.0 112.732 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -76.52 -37.97 55.88 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.197 0.999 . . . . 0.0 112.111 169.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 5.1 t80 -64.53 -39.03 93.01 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 138' ' ' TYR . 5.3 t -56.44 -49.57 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.663 1.12 . . . . 0.0 108.592 170.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -63.92 -38.4 90.94 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.849 0.718 . . . . 0.0 110.983 -171.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.5 ttp -66.7 -45.71 77.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 112.846 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.0 mtm -64.42 -39.21 93.41 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.701 0.682 . . . . 0.0 112.617 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.476 0.869 0 C-N-CA 123.994 0.918 . . . . 0.0 113.021 -177.677 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.3 tp60 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 120.858 0.361 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.32 -42.76 70.52 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.923 1.289 . . . . 0.0 111.717 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 41.7 tt0 -65.89 -28.47 68.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 10.4 m -99.79 -31.33 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.453 1.101 . . . . 0.0 111.953 -173.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -56.04 -39.54 72.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.779 1.231 . . . . 0.0 111.098 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.17 72.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.663 0.785 . . . . 0.0 111.052 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 92.7 mt -65.53 -39.37 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 120.6 -1.313 . . . . 0.0 111.941 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.9 mt -57.46 -41.9 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.414 1.085 . . . . 0.0 110.678 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.3 -41.2 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 111.337 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -54.43 -47.21 73.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.506 1.048 . . . . 0.0 111.586 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -72.21 -42.9 65.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.018 0.927 . . . . 0.0 111.86 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.77 85.17 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 173.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.78 -50.93 67.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.076 0.55 . . . . 0.0 112.121 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 33.1 mtm-85 -67.02 -28.0 67.87 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.281 -0.887 . . . . 0.0 112.615 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.65 -40.71 97.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.866 0.757 . . . . 0.0 110.82 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.94 -36.06 82.32 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.049 0.84 . . . . 0.0 112.937 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 CA--C 1.543 0.674 0 O-C-N 120.703 -1.248 . . . . 0.0 112.021 171.524 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.88 -44.93 75.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.941 0.896 . . . . 0.0 112.065 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.13 -45.98 91.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.323 0.649 . . . . 0.0 111.24 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.39 -46.35 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.092 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.12 76.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.661 1.118 . . . . 0.0 112.835 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.97 -45.2 86.69 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 111.568 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.04 -37.7 88.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.825 0.85 . . . . 0.0 112.441 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.23 -50.43 72.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.762 1.625 . . . . 0.0 111.171 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -65.02 -51.9 59.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.32 0.648 . . . . 0.0 111.836 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.29 72.43 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -72.65 -50.62 23.87 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.982 0.913 . . . . 0.0 111.443 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 t -61.49 -24.6 66.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.045 0.938 . . . . 0.0 112.643 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -56.62 -21.83 29.78 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.398 1.479 . . . . 0.0 113.927 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD2' HG22 ' A' ' 35' ' ' VAL . 61.1 m-85 -121.62 4.52 10.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.824 1.65 . . . . 0.0 113.312 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.3 t0 . . . . . 0 CA--C 1.54 0.583 0 O-C-N 121.366 -0.834 . . . . 0.0 110.386 175.039 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.86 30.22 32.64 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.731 1.158 . . . . 0.0 113.855 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -140.55 156.43 46.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.865 1.266 . . . . 0.0 113.319 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.7 pt -131.33 170.96 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 126.938 2.095 . . . . 0.0 110.147 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -88.89 162.55 16.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.386 1.088 . . . . 0.0 113.385 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.2 p -59.57 -18.94 45.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.855 1.262 . . . . 0.0 112.846 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -43.21 57.99 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.355 1.062 . . . . 0.0 112.363 170.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.17 -17.25 57.06 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 48' ' ' LEU . 1.3 tt -46.25 -57.99 4.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.132 1.373 . . . . 0.0 111.912 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -29.11 74.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.511 -0.743 . . . . 0.0 113.245 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -69.34 -40.36 77.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.305 1.052 . . . . 0.0 111.551 173.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 19' ' ' PHE . 51.4 t -63.81 -41.71 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.604 1.161 . . . . 0.0 110.579 173.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.0 mtp -62.09 -42.99 99.77 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.932 . . . . 0.0 112.532 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -64.24 -33.66 76.32 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.521 -0.737 . . . . 0.0 112.408 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 t -64.14 -34.97 79.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 0.0 112.159 169.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 26.43 0.23 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.331 1.852 . . . . 0.0 114.27 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.88 70.54 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 169.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -138.2 127.0 23.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.708 1.203 . . . . 0.0 111.158 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.21 95.56 2.94 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.878 0.871 . . . . 0.0 110.818 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -64.41 150.2 88.68 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.533 2.822 . . . . 0.0 112.622 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -81.95 142.52 32.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.839 0.855 . . . . 0.0 109.967 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.32 -28.55 69.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.528 -1.357 . . . . 0.0 113.568 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -31.34 72.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.201 1.0 . . . . 0.0 113.083 172.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.81 -49.89 48.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.679 -0.638 . . . . 0.0 109.966 169.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 32' ' ' LEU . 30.1 mt -61.71 -39.06 90.18 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -61.32 -40.27 93.6 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.665 0.666 . . . . 0.0 111.64 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -69.2 -43.37 74.29 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.641 -0.662 . . . . 0.0 111.767 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.8 mtp -60.54 -39.85 89.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.544 1.138 . . . . 0.0 111.934 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.64 -32.45 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.939 0.896 . . . . 0.0 111.583 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -63.53 -30.56 71.66 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.923 1.692 . . . . 0.0 112.4 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.99 -51.65 15.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.909 0.777 . . . . 0.0 112.464 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.7 t -74.12 -45.42 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.644 1.177 . . . . 0.0 113.246 -171.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -102.33 56.08 0.79 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.935 1.694 . . . . 0.0 112.32 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -23.35 63.98 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -83.11 -14.6 53.33 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.964 1.306 . . . . 0.0 114.168 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.39 27.94 73.51 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.256 0.932 . . . . 0.0 114.171 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -18.28 55.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.531 1.533 . . . . 0.0 114.489 -173.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.58 5.67 89.27 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.391 1.472 . . . . 0.0 116.251 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -126.94 159.19 34.75 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.998 1.899 . . . . 0.0 114.821 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.81 134.4 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 128.026 2.53 . . . . 0.0 108.84 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.65 157.11 18.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.276 0.631 . . . . 0.0 111.394 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -45.44 -53.07 19.85 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.72 -27.13 27.04 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.811 1.674 . . . . 0.0 113.353 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.0 -29.18 61.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.173 -0.954 . . . . 0.0 111.899 174.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -69.43 -42.69 74.65 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.264 -0.898 . . . . 0.0 110.911 168.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.31 -26.45 68.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.87 -1.144 . . . . 0.0 112.284 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -35.81 70.16 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.115 1.366 . . . . 0.0 113.427 171.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.2 ptp -84.52 -40.39 17.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.043 1.292 . . . . 0.0 111.627 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.4 mmm -65.83 -39.77 91.16 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.331 0.514 . . . . 0.0 112.287 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 123.896 0.878 . . . . 0.0 112.958 174.399 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -69.61 -29.58 67.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.441 -0.787 . . . . 0.0 112.198 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.06 -36.86 61.77 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.553 0.741 . . . . 0.0 112.134 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.66 -47.9 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.19 0.996 . . . . 0.0 109.587 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -56.42 -48.37 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.422 0.689 . . . . 0.0 112.492 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.7 -40.96 84.3 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.21 86.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.01 1.324 . . . . 0.0 112.751 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.34 -43.61 94.05 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.134 -0.978 . . . . 0.0 111.468 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -63.13 -22.44 66.86 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.2 -31.86 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.988 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.654 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.8 m-85 -93.0 -16.58 24.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 175.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.548 1.139 . . . . 0.0 110.761 179.844 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.2 0 N-CA-C 113.023 -0.031 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.24 166.32 28.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.237 1.415 . . . . 0.0 111.259 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.17 136.23 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.889 1.675 . . . . 0.0 109.037 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 m -67.08 142.53 57.1 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.161 -1.587 . . . . 0.0 111.825 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.18 83.53 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.435 -0.791 . . . . 0.0 113.06 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.47 74.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 112.742 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -74.34 -43.5 56.37 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.647 0.779 . . . . 0.0 111.843 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.91 0.777 . . . . 0.0 110.756 174.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -59.86 -40.99 90.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.899 0.772 . . . . 0.0 112.038 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.02 -63.41 1.22 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.897 0.771 . . . . 0.0 110.476 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.674 HG23 HD12 ' A' ' 112' ' ' LEU . 14.8 p -64.51 -37.87 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.089 0.859 . . . . 0.0 112.785 -171.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.3 mmt -69.11 -14.86 63.24 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -118.21 1.22 11.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.07 -41.35 5.6 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.323 1.849 . . . . 0.0 112.099 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.674 HD12 HG23 ' A' ' 108' ' ' VAL . 31.6 mt -125.5 144.52 50.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.339 1.456 . . . . 0.0 111.806 -168.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.17 -151.24 45.12 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 121.399 0.444 . . . . 0.0 114.165 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.62 52.13 0.97 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.066 1.746 . . . . 0.0 113.281 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -14.02 113.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 130.989 3.716 . . . . 0.0 114.998 -174.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.63 150.6 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.021 0.928 . . . . 0.0 112.144 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -70.13 159.21 34.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.879 0.871 . . . . 0.0 110.195 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.266 1.027 . . . . 0.0 113.694 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.84 -23.33 58.43 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.356 -0.84 . . . . 0.0 112.973 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -81.81 -41.1 21.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.615 1.566 . . . . 0.0 111.672 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.08 -33.42 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.305 0.642 . . . . 0.0 111.034 171.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.4 -40.71 93.78 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.36 -0.837 . . . . 0.0 111.789 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.76 -40.23 83.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.508 0.595 . . . . 0.0 111.229 171.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttm -58.99 -53.97 52.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.298 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.2 mm -60.04 -37.4 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 121.247 1.839 . . . . 0.0 111.322 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.16 -31.68 63.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.849 1.26 . . . . 0.0 113.969 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.41 -17.65 13.42 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.191 1.396 . . . . 0.0 114.553 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.558 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -87.6 -33.43 18.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.878 2.071 . . . . 0.0 113.4 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 124.314 1.046 . . . . 0.0 111.679 175.822 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 N-CA-C 114.978 0.751 . . . . 0.0 114.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.58 104.32 11.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.842 1.321 . . . . 0.0 110.963 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.558 HG13 ' HB1' ' A' ' 128' ' ' ALA . 21.5 t -71.66 124.47 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.834 -0.541 . . . . 0.0 109.736 169.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -96.01 102.53 14.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.076 0.941 . . . . 0.0 110.215 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -71.72 -22.04 61.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.018 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -66.97 -37.82 84.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.0 1.273 . . . . 0.0 112.303 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -71.16 -41.35 70.52 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 110.952 168.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.45 -43.5 80.96 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.77 -43.19 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.299 -0.876 . . . . 0.0 110.903 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.36 -35.25 79.88 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.052 0.541 . . . . 0.0 111.988 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.3 ttp -69.12 -46.74 66.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.778 1.231 . . . . 0.0 112.75 173.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.62 -39.37 91.41 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.476 -0.765 . . . . 0.0 112.432 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.19 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -54.54 -43.58 72.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.672 1.123 . . . . 0.0 111.354 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.81 -22.26 63.32 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 2.8 m -104.02 -30.19 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.468 1.107 . . . . 0.0 112.952 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.9 m -56.3 -39.56 72.9 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.366 1.066 . . . . 0.0 109.875 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.15 88.95 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.382 0.673 . . . . 0.0 110.409 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.01 -37.84 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.007 -1.058 . . . . 0.0 112.266 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.17 -43.7 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 110.726 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.1 -39.09 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.516 1.126 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.77 -46.42 87.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.48 1.112 . . . . 0.0 111.571 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.51 -49.63 77.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 111.522 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.92 98.66 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.486 0.714 . . . . 0.0 112.156 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.7 t80 -66.7 -50.1 63.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.914 0.486 . . . . 0.0 112.149 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -66.88 -25.19 66.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -69.87 -46.2 66.02 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.121 0.873 . . . . 0.0 110.618 168.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.46 -31.02 72.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.578 1.151 . . . . 0.0 113.676 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.849 1.26 . . . . 0.0 112.804 174.032 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.6 -41.37 75.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.053 0.941 . . . . 0.0 112.45 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.17 -45.12 93.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.891 0.877 . . . . 0.0 110.684 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.11 -45.59 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 123.956 0.902 . . . . 0.0 110.764 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.03 -35.32 78.07 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.61 1.095 . . . . 0.0 113.086 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.52 -44.87 89.53 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.822 -1.174 . . . . 0.0 111.571 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -67.89 -32.47 72.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.664 0.786 . . . . 0.0 112.736 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.32 -47.58 85.41 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.413 1.485 . . . . 0.0 110.899 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.75 -33.51 76.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.18 63.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.861 0.755 . . . . 0.0 113.0 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -72.46 -45.57 58.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.389 -0.819 . . . . 0.0 112.911 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -62.49 -17.35 59.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.685 0.794 . . . . 0.0 113.119 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.67 -18.59 60.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.359 1.464 . . . . 0.0 113.9 172.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 35' ' ' VAL . 36.4 m-85 -129.24 3.57 5.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.657 1.583 . . . . 0.0 113.328 -178.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t0 . . . . . 0 CA--C 1.55 0.966 0 C-N-CA 126.285 1.834 . . . . 0.0 110.238 175.055 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 CA--C 1.546 0.797 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.84 28.81 20.15 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.436 1.017 . . . . 0.0 113.521 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -143.09 150.92 40.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.615 1.166 . . . . 0.0 113.142 -171.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.8 pt -124.29 168.35 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.361 1.865 . . . . 0.0 110.536 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -84.38 160.2 20.69 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.158 0.98 . . . . 0.0 112.953 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.59 -20.15 63.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 113.212 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -74.88 -46.77 33.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.154 0.888 . . . . 0.0 111.371 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.4 -22.3 62.76 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.589 1.156 . . . . 0.0 113.23 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.95 -61.36 1.31 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.511 1.524 . . . . 0.0 112.24 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.1 -23.61 71.42 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.506 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -70.23 -40.29 74.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.519 1.16 . . . . 0.0 111.102 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.295 1.8 m -72.23 -31.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 121.455 -0.778 . . . . 0.0 111.984 173.51 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtp -64.56 -45.52 86.72 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.508 1.049 . . . . 0.0 111.934 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -64.21 -27.57 69.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.581 0.752 . . . . 0.0 112.65 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -67.7 -25.17 65.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.912 0.885 . . . . 0.0 113.255 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -85.87 1.32 50.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.588 1.555 . . . . 0.0 113.049 169.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.9 -3.44 79.86 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.294 1.426 . . . . 0.0 115.19 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.01 120.49 26.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.062 1.431 . . . . 0.0 109.738 172.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -107.53 84.1 1.77 Allowed Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.531 0.732 . . . . 0.0 110.832 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -66.87 151.56 82.07 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.147 2.565 . . . . 0.0 111.114 174.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -72.64 159.17 34.29 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.103 -0.998 . . . . 0.0 111.109 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -68.46 -27.16 65.91 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.277 -1.514 . . . . 0.0 112.671 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.28 -38.53 68.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.639 0.776 . . . . 0.0 112.3 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.24 -40.99 94.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.067 1.347 . . . . 0.0 111.825 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 mt -60.61 -48.17 82.96 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.002 0.921 . . . . 0.0 111.373 170.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.27 -39.31 78.91 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.202 0.601 . . . . 0.0 112.052 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.99 -44.61 84.34 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.773 0.829 . . . . 0.0 112.621 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.46 -35.9 82.3 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.153 -0.967 . . . . 0.0 112.577 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.0 mt -71.37 -31.21 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 121.208 -0.933 . . . . 0.0 111.483 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -64.68 -28.26 69.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.158 1.345 . . . . 0.0 112.639 172.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -75.8 -50.11 16.15 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.82 0.736 . . . . 0.0 112.165 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.49 -49.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -173.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -99.65 48.47 0.94 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 0.0 112.885 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.37 65.04 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.87 -3.11 58.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.819 1.248 . . . . 0.0 114.348 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 41.29 61.59 Favored Glycine 0 CA--C 1.538 1.472 0 O-C-N 121.049 -1.032 . . . . 0.0 115.057 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -76.29 -24.41 54.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.361 1.465 . . . . 0.0 113.165 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.81 14.63 78.2 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.621 1.581 . . . . 0.0 114.825 -172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 p -138.57 158.25 44.61 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.126 1.37 . . . . 0.0 113.523 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.91 136.25 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.916 2.086 . . . . 0.0 108.816 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.58 157.7 19.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.429 0.692 . . . . 0.0 111.661 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -47.74 -55.19 18.19 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.61 -21.95 28.86 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.938 1.759 . . . . 0.0 113.377 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -72.11 -40.65 68.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.745 0.702 . . . . 0.0 111.209 172.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.68 -41.5 90.8 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.515 -0.741 . . . . 0.0 111.97 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.01 -21.4 63.55 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -35.36 78.77 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.875 0.761 . . . . 0.0 113.008 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.0 ptp -85.45 -30.44 23.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.952 0.796 . . . . 0.0 112.484 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -65.06 -31.58 72.86 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.631 -0.668 . . . . 0.0 111.953 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 123.462 0.705 . . . . 0.0 112.273 169.144 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.22 -32.66 73.03 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.186 -0.946 . . . . 0.0 112.797 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.94 -47.94 70.12 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.577 0.751 . . . . 0.0 111.254 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -60.47 -44.08 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.515 1.126 . . . . 0.0 110.381 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -59.99 -44.8 94.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.536 0.734 . . . . 0.0 112.346 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.87 -39.39 69.68 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.62 76.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.103 0.961 . . . . 0.0 112.628 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.34 -45.45 76.34 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.022 -1.049 . . . . 0.0 111.841 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -60.19 -26.4 66.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.0 t -60.57 -34.93 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.05 1.34 . . . . 0.0 112.382 169.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.47 -18.15 27.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.12 1.368 . . . . 0.0 114.184 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 124.479 1.111 . . . . 0.0 111.469 -175.596 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 N-CA-C 114.13 0.412 . . . . 0.0 114.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.68 164.44 31.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.92 1.288 . . . . 0.0 110.946 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.76 153.0 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.864 1.666 . . . . 0.0 109.227 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 m -76.0 139.9 41.72 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.329 -1.482 . . . . 0.0 111.142 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.25 83.44 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.067 -1.021 . . . . 0.0 112.835 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.99 -29.5 70.43 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 174.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -75.75 -44.87 39.56 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.364 -0.835 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' A' ' 108' ' ' VAL . 16.5 tp -68.13 -36.95 80.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.28 0.946 . . . . 0.0 111.139 173.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -63.32 -36.89 85.17 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.392 0.996 . . . . 0.0 112.039 170.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.7 -65.03 0.75 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.545 170.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 105' ' ' LEU . 4.0 m -56.67 -41.37 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 120.543 1.519 . . . . 0.0 112.413 -175.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.1 mmt -74.63 -11.34 60.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 p -119.59 -1.01 10.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.942 1.297 . . . . 0.0 113.756 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.6 -29.99 8.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.588 1.555 . . . . 0.0 113.516 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.41 143.79 50.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.645 1.178 . . . . 0.0 110.767 -168.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.02 -145.84 34.14 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.732 0.629 . . . . 0.0 114.289 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.21 -9.65 58.46 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.383 1.473 . . . . 0.0 114.738 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm 54.55 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.102 2.561 . . . . 0.0 114.378 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.97 149.1 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.751 1.22 . . . . 0.0 112.064 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.4 171.83 10.54 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 122.131 0.967 . . . . 0.0 111.907 173.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -56.88 -48.99 76.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.689 1.996 . . . . 0.0 115.369 -174.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -81.77 -26.78 34.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.955 1.302 . . . . 0.0 112.321 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -44.73 77.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.058 1.343 . . . . 0.0 112.019 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.94 -30.73 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.271 0.628 . . . . 0.0 111.436 172.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.11 -38.77 82.62 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.02 -1.05 . . . . 0.0 112.078 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.56 -36.37 76.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.296 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.3 ttm -64.31 -49.34 72.15 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.821 0.849 . . . . 0.0 111.06 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.88 -45.26 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 119.343 0.974 . . . . 0.0 110.485 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -56.58 -36.91 69.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.817 1.247 . . . . 0.0 113.534 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -99.4 -23.31 15.18 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.58 -32.36 28.52 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 119.211 0.914 . . . . 0.0 113.162 174.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 125.574 1.55 . . . . 0.0 111.805 177.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.187 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -121.36 90.76 3.38 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.385 1.474 . . . . 0.0 108.996 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.5 m -73.39 101.4 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.257 1.023 . . . . 0.0 110.252 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.34 87.22 6.16 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.908 0.861 . . . . 0.0 110.534 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 142' ' ' VAL . 5.1 p90 -59.66 -31.35 69.46 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.717 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 -40.06 95.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 121.054 1.752 . . . . 0.0 112.239 -174.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.69 -36.38 70.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.133 -0.979 . . . . 0.0 111.768 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.07 -40.37 94.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.473 1.109 . . . . 0.0 113.264 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 138' ' ' TYR . 2.6 t -59.42 -47.63 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 119.378 0.99 . . . . 0.0 109.454 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -38.6 91.51 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.321 -174.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.5 ttp -66.28 -50.16 64.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.938 1.295 . . . . 0.0 112.756 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.57 -45.12 95.11 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.013 0.824 . . . . 0.0 111.48 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.658 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.25 -45.83 79.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.679 1.592 . . . . 0.0 111.776 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.8 -29.21 69.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.8 m -95.75 -29.49 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.294 1.038 . . . . 0.0 112.451 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.1 m -57.16 -41.05 78.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.369 1.068 . . . . 0.0 110.636 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.54 85.24 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.734 -0.603 . . . . 0.0 110.739 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 58.7 mt -62.75 -38.37 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.875 -1.141 . . . . 0.0 112.235 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.86 -40.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.074 0.95 . . . . 0.0 110.742 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.65 -39.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.468 1.107 . . . . 0.0 111.479 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -56.88 -45.12 82.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.339 1.056 . . . . 0.0 111.378 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.2 -56.28 23.8 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.749 1.22 . . . . 0.0 111.215 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.51 75.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.63 -50.08 64.16 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.665 0.386 . . . . 0.0 111.979 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -65.96 -33.04 74.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.426 -0.796 . . . . 0.0 112.002 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -57.89 -41.18 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.812 1.245 . . . . 0.0 111.007 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.9 t80 -71.03 -39.71 72.16 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 CA--C 1.544 0.738 0 O-C-N 121.172 -0.955 . . . . 0.0 111.891 174.768 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 119.23 -0.414 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -105.28 -1.84 24.74 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.96 137.58 57.82 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.393 -0.817 . . . . 0.0 111.94 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.44 147.8 30.8 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.461 0.704 . . . . 0.0 111.714 169.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -80.88 162.3 24.02 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.771 0.828 . . . . 0.0 110.004 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -57.53 -30.07 64.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.851 0.861 . . . . 0.0 112.844 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -70.64 -45.06 65.88 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.113 0.965 . . . . 0.0 111.869 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -45.95 92.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.29 0.636 . . . . 0.0 110.59 172.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.12 -45.48 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.073 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.72 74.7 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.765 1.166 . . . . 0.0 112.975 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.46 -46.65 75.67 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.113 -0.992 . . . . 0.0 111.573 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -65.69 -36.97 85.15 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.438 0.695 . . . . 0.0 112.279 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.21 -52.3 64.92 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.769 1.627 . . . . 0.0 110.936 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.42 -52.08 63.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.464 0.705 . . . . 0.0 111.62 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.4 75.67 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -71.05 -47.6 57.57 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.454 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -62.44 -28.32 69.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.638 1.175 . . . . 0.0 113.153 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.25 -19.39 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.807 1.243 . . . . 0.0 113.854 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' CD2' HG22 ' A' ' 35' ' ' VAL . 42.4 m-85 -120.59 4.27 10.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 112.817 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -72.44 125.4 27.3 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.706 -1.246 . . . . 0.0 110.202 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.617 ' HD2' ' H ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -78.04 -22.68 48.8 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.805 1.642 . . . . 0.0 114.5 -174.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -135.13 -10.5 2.25 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 12.36 84.23 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.19 0.9 . . . . 0.0 113.281 -169.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -81.62 -3.83 54.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.57 1.548 . . . . 0.0 113.698 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.63 26.55 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.017 1.294 . . . . 0.0 114.229 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 p -140.63 158.19 44.35 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.916 1.358 . . . . 0.0 114.302 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -135.63 171.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 127.527 2.331 . . . . 0.0 110.516 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.4 p -83.7 159.06 21.59 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 122.421 1.105 . . . . 0.0 112.925 169.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.419 ' HB ' HD13 ' A' ' 52' ' ' ILE . 36.0 p -60.41 -28.25 68.11 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.449 1.099 . . . . 0.0 112.54 170.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.29 -40.63 74.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.815 1.246 . . . . 0.0 112.547 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.97 -20.63 61.0 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.12 -58.33 4.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.907 1.231 . . . . 0.0 112.096 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.99 -26.99 73.27 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.179 -0.95 . . . . 0.0 113.388 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -70.29 -38.96 75.13 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.004 0.902 . . . . 0.0 111.078 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 19' ' ' PHE . 52.9 t -64.04 -45.35 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.324 1.049 . . . . 0.0 110.529 171.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.6 mtp -57.06 -41.46 78.77 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.766 1.166 . . . . 0.0 112.136 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.58 -22.61 65.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.834 0.853 . . . . 0.0 113.028 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 t -67.89 -33.12 74.11 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.327 0.967 . . . . 0.0 111.866 169.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.14 2.64 17.38 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.559 1.144 . . . . 0.0 112.818 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.19 -1.15 86.11 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.587 1.565 . . . . 0.0 115.151 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -90.12 121.01 31.78 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.844 1.322 . . . . 0.0 110.629 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -101.06 96.15 5.46 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.572 0.749 . . . . 0.0 110.89 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.8 155.12 53.93 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.095 3.197 . . . . 0.0 113.114 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.53 149.28 38.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.452 1.101 . . . . 0.0 110.38 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -59.71 -34.47 72.94 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.636 -1.29 . . . . 0.0 112.837 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.31 88.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.064 0.946 . . . . 0.0 112.834 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.74 -46.64 78.1 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.744 -0.597 . . . . 0.0 110.866 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.36 -47.61 83.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.948 0.499 . . . . 0.0 111.431 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -60.85 -41.65 96.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.57 -42.33 91.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.57 0.748 . . . . 0.0 112.656 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.5 -42.65 87.08 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.373 -0.829 . . . . 0.0 111.852 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 ' HB ' ' A' ' 29' ' ' THR . 60.3 mt -68.21 -31.11 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 123.465 0.706 . . . . 0.0 111.762 177.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.7 -36.68 72.3 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.271 1.396 . . . . 0.0 112.335 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -85.86 -41.15 15.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.673 0.789 . . . . 0.0 112.702 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.15 -46.52 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.466 1.106 . . . . 0.0 112.801 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -104.38 45.31 0.97 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.518 1.527 . . . . 0.0 112.587 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.19 -23.8 64.28 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.02 -1.05 . . . . 0.0 113.527 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -83.79 -8.05 59.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.775 1.23 . . . . 0.0 114.084 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.21 35.1 69.95 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.653 1.12 . . . . 0.0 115.091 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -78.13 -18.49 55.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 113.555 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.81 15.37 81.36 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.145 1.355 . . . . 0.0 114.462 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.3 p -135.89 159.36 41.92 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.194 1.398 . . . . 0.0 113.756 -173.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.2 mt -137.94 137.85 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 127.242 2.217 . . . . 0.0 109.039 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.61 157.24 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.469 0.708 . . . . 0.0 111.577 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -42.38 -52.64 9.93 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.41 -28.79 26.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.956 1.771 . . . . 0.0 114.301 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -29.39 64.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.146 -0.971 . . . . 0.0 112.365 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -69.92 -47.26 63.15 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 0.0 111.212 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.06 -32.48 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.032 -1.043 . . . . 0.0 112.676 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -51.37 -47.23 62.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.412 1.485 . . . . 0.0 112.347 172.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.2 ptp -80.8 -34.07 34.32 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.61 0.641 . . . . 0.0 112.235 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -63.86 -33.11 74.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.391 0.541 . . . . 0.0 112.193 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.09 -54.03 51.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.525 0.73 . . . . 0.0 111.318 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -63.3 -38.44 91.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.481 1.112 . . . . 0.0 112.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -63.59 -33.93 76.69 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.71 -37.24 70.67 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.225 0.921 . . . . 0.0 112.272 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.48 -17.01 63.46 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.29 -13.26 3.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.9 p -114.36 -5.88 12.92 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -155.78 19.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.2 t -60.55 152.25 26.56 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.521 -1.362 . . . . 0.0 112.179 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -58.46 -42.6 87.83 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.267 -0.896 . . . . 0.0 111.982 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.5 -35.97 78.24 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.612 -0.68 . . . . 0.0 112.392 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.41 -45.86 85.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.876 0.87 . . . . 0.0 111.428 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -65.52 -45.83 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.674 1.19 . . . . 0.0 110.982 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -60.55 -39.83 89.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.758 1.163 . . . . 0.0 112.373 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -68.9 -45.52 70.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.752 0.705 . . . . 0.0 111.839 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.44 80.65 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.158 0.983 . . . . 0.0 112.833 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.36 -43.85 72.75 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.219 -0.926 . . . . 0.0 112.41 172.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -58.87 -26.69 64.48 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.69 -32.92 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.191 1.396 . . . . 0.0 112.328 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 14.4 m-85 -92.99 -24.26 18.42 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.903 1.281 . . . . 0.0 113.96 176.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.73 111.28 1.38 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.349 1.06 . . . . 0.0 110.252 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.34 -21.51 60.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -122.85 -15.23 7.47 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 19.88 78.92 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.168 0.89 . . . . 0.0 112.611 -168.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -83.52 -0.24 49.45 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.814 1.645 . . . . 0.0 114.261 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.53 17.72 75.13 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 119.362 0.983 . . . . 0.0 113.609 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 162.33 38.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -132.65 140.84 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.584 1.954 . . . . 0.0 108.613 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -66.21 142.72 57.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.48 -1.387 . . . . 0.0 111.252 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.4 95.41 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.001 -1.062 . . . . 0.0 112.831 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.07 -28.56 68.93 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.473 0.709 . . . . 0.0 112.869 174.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.95 -49.53 36.67 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.875 0.87 . . . . 0.0 111.163 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.63 -40.49 95.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.012 0.824 . . . . 0.0 110.825 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -58.01 -40.73 81.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.26 1.024 . . . . 0.0 112.5 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -59.02 -59.14 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.584 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.561 HG13 HD12 ' A' ' 112' ' ' LEU . 1.6 t -59.31 -46.05 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.982 1.265 . . . . 0.0 111.202 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.5 mmt -66.88 -14.6 62.91 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.0 p -120.33 8.57 10.85 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -106.61 -45.28 4.27 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.206 1.402 . . . . 0.0 111.398 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.561 HD12 HG13 ' A' ' 108' ' ' VAL . 15.0 mt -116.11 157.53 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 111.394 -167.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.02 -148.45 50.95 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 121.721 0.623 . . . . 0.0 113.878 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -71.44 -12.92 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.085 1.754 . . . . 0.0 114.739 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.2 129.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.004 2.521 . . . . 0.0 112.54 -166.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.59 150.96 26.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.279 0.632 . . . . 0.0 109.446 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.95 159.82 29.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.954 0.902 . . . . 0.0 110.717 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -49.83 -46.5 51.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.321 1.448 . . . . 0.0 114.055 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -79.99 -21.7 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 0.0 113.007 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.6 -41.13 21.97 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.809 1.643 . . . . 0.0 111.789 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.37 -34.69 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.706 -0.621 . . . . 0.0 111.136 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.21 -44.09 84.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.446 0.698 . . . . 0.0 111.255 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.36 -40.56 74.73 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.643 0.777 . . . . 0.0 111.617 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.36 -51.0 69.92 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.871 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.98 -34.31 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 120.53 1.514 . . . . 0.0 111.752 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -59.42 -28.7 67.17 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.625 1.102 . . . . 0.0 113.591 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.27 -22.54 8.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.637 1.575 . . . . 0.0 113.829 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -75.17 -34.24 61.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.907 2.083 . . . . 0.0 112.506 169.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.87 137.85 32.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.134 1.374 . . . . 0.0 110.439 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.0 -31.77 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.668 1.187 . . . . 0.0 114.078 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -147.42 -2.48 0.58 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.4 25.97 34.64 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.794 1.187 . . . . 0.0 114.475 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -73.85 -10.31 59.53 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.732 1.213 . . . . 0.0 114.123 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.88 20.64 23.38 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.28 1.895 . . . . 0.0 113.823 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -129.45 104.22 7.35 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.709 1.604 . . . . 0.0 110.196 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.488 HG13 ' HB1' ' A' ' 128' ' ' ALA . 8.7 t -73.21 131.09 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.86 89.11 3.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 122.386 1.089 . . . . 0.0 111.652 170.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -62.36 -27.8 69.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.238 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.79 -27.84 69.17 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.387 0.994 . . . . 0.0 113.174 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -86.54 -37.91 17.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -61.91 -41.86 98.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.364 1.066 . . . . 0.0 112.804 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.6 p -60.15 -42.44 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.332 1.053 . . . . 0.0 112.084 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -64.96 -43.3 93.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 111.004 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.6 ttp -61.41 -45.56 93.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.622 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.8 mtm -66.97 -38.98 87.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.4 p -84.98 -21.04 29.67 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.67 137.41 55.54 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.385 0.993 . . . . 0.0 112.827 175.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.251 1.143 0 C-N-CA 124.89 1.276 . . . . 0.0 110.553 169.658 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 CA-C-O 119.41 -0.661 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.97 141.18 76.24 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.254 2.636 . . . . 0.0 112.345 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 72.98 10.74 78.18 Favored Glycine 0 CA--C 1.538 1.516 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 138.12 57.92 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.021 1.411 . . . . 0.0 113.218 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -155.49 11.5 0.32 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -52.91 -38.28 61.67 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.796 1.638 . . . . 0.0 114.671 -169.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.47 -47.25 69.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.817 1.247 . . . . 0.0 111.92 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -87.05 -36.45 18.17 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.557 0.743 . . . . 0.0 112.192 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -55.17 -49.27 72.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 0.0 111.987 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.452 ' HA ' HD13 ' A' ' 112' ' ' LEU . 18.0 tt0 -71.07 -19.45 62.48 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.7 m -101.95 -32.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.637 1.175 . . . . 0.0 112.334 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.7 m -59.49 -39.66 84.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.564 1.146 . . . . 0.0 111.259 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.84 74.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.786 -0.572 . . . . 0.0 111.213 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.5 mt -61.29 -40.44 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.439 0.696 . . . . 0.0 111.442 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.93 -43.85 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.619 1.168 . . . . 0.0 111.153 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.44 -36.7 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.722 0.809 . . . . 0.0 110.509 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.07 -41.91 97.17 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 111.889 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -58.62 -50.54 73.46 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.559 0.744 . . . . 0.0 111.131 173.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.2 96.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.755 0.822 . . . . 0.0 112.439 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.21 -52.36 35.09 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -66.03 -26.8 67.68 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.491 -0.756 . . . . 0.0 112.648 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.34 -44.76 86.71 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.974 0.807 . . . . 0.0 111.1 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.69 -34.54 78.44 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.3 mt -52.78 -29.32 26.77 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.444 1.02 . . . . 0.0 113.054 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.81 -34.6 74.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.1 0.96 . . . . 0.0 112.727 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -67.84 -33.1 74.11 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.492 1.117 . . . . 0.0 112.428 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -73.29 -7.21 50.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -128.58 18.53 6.3 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.727 1.611 . . . . 0.0 114.208 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 8.9 p -65.55 147.26 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.534 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.57 136.47 56.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.443 1.097 . . . . 0.0 111.542 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 23.3 mmtm . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.314 2.245 . . . . 0.0 111.151 177.822 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.658 0.266 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -93.09 10.98 29.28 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.517 1.527 . . . . 0.0 114.175 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.76 139.93 58.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.161 -0.962 . . . . 0.0 112.727 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.6 148.64 31.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.35 1.06 . . . . 0.0 110.89 168.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 p -69.4 159.12 33.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.349 0.66 . . . . 0.0 110.403 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -56.98 -30.29 63.98 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.359 -0.838 . . . . 0.0 112.596 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -73.03 -42.45 63.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.487 1.115 . . . . 0.0 112.193 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -67.41 -39.76 85.53 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.679 -0.638 . . . . 0.0 112.405 173.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.51 -44.92 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.195 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.93 89.03 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.422 1.01 . . . . 0.0 113.212 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.42 -46.65 79.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.201 -0.937 . . . . 0.0 111.997 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -68.52 -33.19 73.69 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.532 0.733 . . . . 0.0 112.757 175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.47 -48.37 71.87 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.271 1.428 . . . . 0.0 110.898 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.65 -55.55 22.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.592 0.757 . . . . 0.0 111.311 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.29 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -75.66 -52.12 11.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.108 0.867 . . . . 0.0 111.801 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.8 p -64.35 -20.55 66.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -28.23 27.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.981 1.712 . . . . 0.0 112.924 168.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CD2' HG22 ' A' ' 35' ' ' VAL . 74.1 m-85 -116.7 1.48 12.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.006 1.322 . . . . 0.0 113.636 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.82 104.64 2.52 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.989 0.9 . . . . 0.0 110.161 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.79 -8.66 59.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.036 1.735 . . . . 0.0 114.988 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -119.39 -21.64 7.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.946 1.298 . . . . 0.0 114.295 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.74 10.24 84.47 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.813 1.196 . . . . 0.0 114.041 -171.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.15 -3.78 58.92 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.402 1.481 . . . . 0.0 114.393 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 29.51 38.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.287 0.946 . . . . 0.0 113.587 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -139.86 159.83 41.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.4 1.48 . . . . 0.0 112.643 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 pt -133.2 172.03 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 126.646 1.978 . . . . 0.0 110.608 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -84.26 161.36 20.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.518 1.151 . . . . 0.0 112.823 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 p -61.6 -23.99 66.38 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.44 1.096 . . . . 0.0 113.033 169.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -84.01 -33.69 24.49 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.0 -23.32 63.12 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.827 170.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.97 -59.14 3.3 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.221 1.373 . . . . 0.0 112.128 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.62 69.08 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.256 -0.902 . . . . 0.0 113.275 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 m -76.05 -36.51 59.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.988 0.915 . . . . 0.0 111.791 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 19' ' ' PHE . 53.0 t -63.83 -39.74 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.79 0.836 . . . . 0.0 110.467 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.0 mtp -63.92 -42.11 97.48 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.18 -0.95 . . . . 0.0 112.1 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.6 -36.48 78.67 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 121.279 -0.888 . . . . 0.0 112.582 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -63.34 -36.26 83.12 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.872 0.869 . . . . 0.0 112.073 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -81.17 25.72 0.47 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.207 1.803 . . . . 0.0 113.531 169.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.54 15.56 77.51 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 168.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -141.48 128.63 20.91 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.296 1.548 . . . . 0.0 112.409 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -103.52 94.33 5.89 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.128 0.971 . . . . 0.0 111.506 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.7 156.33 66.43 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.677 2.918 . . . . 0.0 112.244 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -76.46 159.71 30.17 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.66 -0.65 . . . . 0.0 111.659 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -38.89 82.77 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.297 -0.877 . . . . 0.0 111.986 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.0 83.68 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.882 0.873 . . . . 0.0 112.334 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.4 -42.12 88.33 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.456 -0.778 . . . . 0.0 111.91 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.82 -47.75 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.653 -0.655 . . . . 0.0 111.226 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.53 -41.37 89.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.541 0.609 . . . . 0.0 112.168 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.38 -39.43 93.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.941 0.896 . . . . 0.0 113.068 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -70.91 -42.28 70.11 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.977 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -68.01 -28.75 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.26 1.024 . . . . 0.0 111.883 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -58.96 -33.17 70.34 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.078 1.308 . . . . 0.0 112.987 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -85.45 -46.78 10.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.412 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -68.18 -40.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 0.0 113.409 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -115.18 48.07 1.22 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.173 1.789 . . . . 0.0 111.837 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.77 62.75 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.085 -1.009 . . . . 0.0 113.229 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -78.17 -13.81 59.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.054 1.341 . . . . 0.0 114.045 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.56 29.62 69.58 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.817 1.199 . . . . 0.0 115.35 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -77.93 -16.93 57.8 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 118.725 1.262 . . . . 0.0 113.802 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.06 18.41 74.75 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.563 1.554 . . . . 0.0 114.514 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -137.35 160.17 39.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.887 1.275 . . . . 0.0 114.055 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.3 mt -142.53 136.15 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.879 2.072 . . . . 0.0 109.208 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.63 157.35 18.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.345 0.658 . . . . 0.0 111.529 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.45 -55.65 11.49 Favored Pre-proline 0 CA--C 1.547 0.852 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.81 -24.08 25.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.971 1.781 . . . . 0.0 113.624 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.11 -34.11 65.97 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.475 -0.766 . . . . 0.0 111.618 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.08 -40.41 90.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.523 -0.735 . . . . 0.0 112.417 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.42 -23.02 65.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -58.63 -37.73 76.53 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.891 0.769 . . . . 0.0 112.83 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.85 -31.97 25.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.13 0.572 . . . . 0.0 112.106 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -63.97 -34.99 79.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.124 0.569 . . . . 0.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.77 68.77 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.096 0.958 . . . . 0.0 112.997 171.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -80.56 -42.19 22.77 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.531 1.132 . . . . 0.0 112.136 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -60.57 -28.78 68.73 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.0 mtm -65.3 -14.3 60.44 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.12 -31.07 72.13 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.44 1.473 . . . . 0.0 114.077 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -122.45 126.13 47.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.396 1.079 . . . . 0.0 111.537 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -83.12 -21.86 33.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.616 1.166 . . . . 0.0 113.007 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -145.77 150.59 36.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.593 1.557 . . . . 0.0 112.248 -169.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.5 t -71.23 141.71 50.59 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.481 0.712 . . . . 0.0 112.297 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -57.75 -37.25 73.29 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.465 0.706 . . . . 0.0 111.934 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -39.28 92.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.806 0.842 . . . . 0.0 111.279 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -47.34 59.4 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.656 1.182 . . . . 0.0 111.728 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.64 -44.9 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.093 0.957 . . . . 0.0 110.604 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -63.79 -42.41 97.75 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.0 0.818 . . . . 0.0 111.985 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.96 -44.05 90.64 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.5 0.591 . . . . 0.0 111.996 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.59 83.5 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.4 1.08 . . . . 0.0 112.778 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.65 -43.54 76.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.124 -0.985 . . . . 0.0 112.077 172.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.81 -26.81 67.58 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.487 -0.758 . . . . 0.0 112.981 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.49 -31.3 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.046 0.938 . . . . 0.0 112.541 169.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 12.8 m-85 -92.16 -24.64 19.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.498 1.119 . . . . 0.0 113.83 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.07 118.28 5.66 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.362 0.983 . . . . 0.0 109.702 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -64.57 -23.52 67.29 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -149.43 1.47 0.53 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.64 56.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 120.672 -1.268 . . . . 0.0 112.943 -170.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -83.02 -2.3 54.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.261 1.424 . . . . 0.0 113.645 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.12 65.56 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 119.12 0.873 . . . . 0.0 113.109 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 162.0 40.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.463 1.105 . . . . 0.0 112.524 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.03 143.19 40.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 127.219 2.208 . . . . 0.0 107.936 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 150.95 43.48 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.884 -1.76 . . . . 0.0 112.568 175.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.913 -1.117 . . . . 0.0 112.345 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.28 -33.07 73.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.237 0.615 . . . . 0.0 111.905 173.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.97 -44.62 69.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.054 1.342 . . . . 0.0 112.796 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.01 -40.68 71.67 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.944 0.793 . . . . 0.0 110.861 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -59.01 -39.92 83.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.986 0.812 . . . . 0.0 112.002 173.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -57.32 -62.79 1.52 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 118.515 0.598 . . . . 0.0 110.672 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.724 HG23 HD12 ' A' ' 112' ' ' LEU . 14.8 p -64.83 -36.37 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.03 0.832 . . . . 0.0 112.834 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -69.44 -12.16 61.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 p -121.28 3.2 10.34 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.669 1.188 . . . . 0.0 113.832 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -109.09 -39.52 5.25 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.389 1.875 . . . . 0.0 112.494 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.724 HD12 HG23 ' A' ' 108' ' ' VAL . 27.7 mt -125.42 141.04 52.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.508 1.123 . . . . 0.0 111.248 -169.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.26 -146.88 30.94 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.14 -11.91 61.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.566 1.546 . . . . 0.0 114.92 -171.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.88 99.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.087 2.555 . . . . 0.0 114.435 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.45 150.85 38.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.772 1.229 . . . . 0.0 112.35 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 160.3 30.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.729 0.812 . . . . 0.0 110.161 169.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.33 -39.31 86.61 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.103 -0.998 . . . . 0.0 113.363 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -71.86 -33.5 68.46 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.943 -1.098 . . . . 0.0 112.439 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -40.77 66.04 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.962 1.305 . . . . 0.0 111.703 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.79 -33.65 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.434 -0.791 . . . . 0.0 111.582 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.61 -37.87 83.12 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.164 -0.96 . . . . 0.0 111.838 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -59.3 -38.79 81.12 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.313 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.1 ttm -59.93 -53.62 55.78 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.872 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.2 mm -58.51 -37.46 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 120.931 1.696 . . . . 0.0 111.585 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.0 ttp85 -57.26 -26.8 61.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.095 1.358 . . . . 0.0 114.2 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.79 -20.93 8.04 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.471 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -75.38 -33.69 61.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.027 2.131 . . . . 0.0 112.447 170.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -100.9 119.19 38.33 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.884 1.274 . . . . 0.0 109.885 168.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.79 -30.39 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.8 1.24 . . . . 0.0 112.187 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -99.59 -25.27 14.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.858 1.263 . . . . 0.0 113.638 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.63 13.16 83.48 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.181 1.372 . . . . 0.0 114.421 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -81.57 0.41 38.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.188 1.395 . . . . 0.0 114.045 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.75 22.87 14.81 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.4 1.952 . . . . 0.0 114.604 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.99 104.28 7.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.107 1.363 . . . . 0.0 110.779 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.471 HG13 ' HB1' ' A' ' 128' ' ' ALA . 5.8 t -72.88 128.46 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.112 0.565 . . . . 0.0 110.071 171.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -98.52 94.85 6.92 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.375 -0.828 . . . . 0.0 109.321 167.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 142' ' ' VAL . 7.5 p90 -59.75 -29.12 67.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.824 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.63 -38.06 80.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.07 1.304 . . . . 0.0 112.672 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -74.65 -38.54 62.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.542 0.737 . . . . 0.0 111.309 170.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.04 -42.52 94.25 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.48 1.112 . . . . 0.0 113.38 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 138' ' ' TYR . 3.0 t -58.2 -47.53 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 119.471 1.032 . . . . 0.0 109.355 176.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -66.94 -36.16 81.61 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.87 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.3 ttp -67.26 -48.16 68.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.002 1.321 . . . . 0.0 112.709 171.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.8 mtm -61.54 -42.61 99.08 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.129 0.877 . . . . 0.0 111.761 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p -85.59 10.75 12.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.494 1.518 . . . . 0.0 114.542 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 137.77 58.29 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.916 -1.115 . . . . 0.0 112.48 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.909 1.683 . . . . 0.0 113.408 -172.735 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 CA-C-O 118.392 -1.226 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -57.11 147.82 73.18 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.857 3.038 . . . . 0.0 114.357 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 76.76 120.92 0.17 Allowed Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.525 1.536 . . . . 0.0 113.403 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 166.97 25.76 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.15 163.1 27.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.241 2.217 . . . . 0.0 112.788 -173.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1902 ' ' ARG . . . . . 0.421 ' HA ' ' HB3' ' B' 1905 ' ' GLU . 13.0 tpp85 -50.77 -36.13 35.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.839 1.656 . . . . 0.0 114.433 -175.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -58.31 -39.02 78.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.008 0.923 . . . . 0.0 113.141 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -85.76 -38.22 18.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.243 1.017 . . . . 0.0 112.506 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1905 ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' B' 1902 ' ' ARG . 61.2 tt0 -55.51 -46.05 77.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.041 1.337 . . . . 0.0 112.069 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.419 ' HA ' HD13 ' A' ' 112' ' ' LEU . 46.9 tt0 -66.63 -24.77 66.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 6.1 m -99.87 -31.66 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.274 1.03 . . . . 0.0 112.118 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.5 m -56.79 -40.58 76.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.774 1.23 . . . . 0.0 111.117 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.0 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.359 0.663 . . . . 0.0 110.839 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.99 -38.16 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.301 -0.874 . . . . 0.0 111.849 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.62 -43.45 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.92 1.288 . . . . 0.0 111.023 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.49 -41.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -55.1 -49.58 71.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.121 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -60.46 -52.79 63.7 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.149 1.38 . . . . 0.0 111.834 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.1 69.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.2 t80 -69.95 -49.51 51.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -66.99 -29.34 69.16 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.182 1.355 . . . . 0.0 111.202 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -60.21 -43.11 96.25 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.469 -0.769 . . . . 0.0 110.857 168.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 91.7 t80 -66.01 -39.48 90.29 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.51 -39.4 73.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.325 -0.859 . . . . 0.0 111.593 171.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.55 -29.59 68.19 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.208 -0.933 . . . . 0.0 113.093 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.83 -43.61 83.28 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.771 1.169 . . . . 0.0 111.178 169.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.9 -30.0 67.46 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -71.67 -17.65 62.23 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.594 1.158 . . . . 0.0 113.803 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 22.9 m -124.04 -20.19 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 51.6 pttt -73.16 158.73 34.71 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.937 1.244 . . . . 0.0 113.188 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.333 1.453 . . . . 0.0 112.462 176.358 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.694 0.283 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -132.95 25.33 4.28 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.681 1.592 . . . . 0.0 113.135 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -62.7 141.93 58.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.794 1.238 . . . . 0.0 111.937 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -87.16 143.35 27.34 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.1 p -70.59 161.51 30.56 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.031 0.932 . . . . 0.0 111.412 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -58.32 -34.08 70.2 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.176 -0.953 . . . . 0.0 112.158 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -69.73 -43.3 72.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.284 1.034 . . . . 0.0 112.505 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.52 -45.32 91.17 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.448 0.699 . . . . 0.0 111.143 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -45.05 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.999 0.919 . . . . 0.0 110.474 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.9 -36.29 83.89 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.883 0.765 . . . . 0.0 113.037 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.33 -45.79 79.03 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.251 -0.906 . . . . 0.0 111.902 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -65.38 -34.28 77.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.468 0.707 . . . . 0.0 112.669 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -54.32 -50.94 66.21 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.572 1.549 . . . . 0.0 111.641 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.54 -50.14 64.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.663 0.785 . . . . 0.0 111.666 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.0 74.22 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -74.66 -49.22 22.21 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.013 0.824 . . . . 0.0 112.258 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -60.11 -24.45 64.66 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.315 1.046 . . . . 0.0 112.7 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.13 -21.0 7.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.923 1.689 . . . . 0.0 114.593 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' HG12 ' A' ' 35' ' ' VAL . 24.9 m-85 -129.77 7.44 5.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.553 1.541 . . . . 0.0 113.108 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -68.66 128.1 35.44 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.808 1.29 . . . . 0.0 111.359 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -69.56 -38.73 77.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.026 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -125.46 -14.17 6.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.41 7.59 82.28 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.852 1.215 . . . . 0.0 113.28 -169.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.9 1.93 52.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.857 1.663 . . . . 0.0 114.108 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.88 32.56 9.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.394 0.997 . . . . 0.0 114.915 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.0 p -139.75 152.97 47.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.038 1.419 . . . . 0.0 113.651 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.05 171.25 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 126.822 2.049 . . . . 0.0 110.656 173.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.1 p -84.54 155.55 22.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 122.224 1.012 . . . . 0.0 112.459 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.469 ' HB ' HD13 ' A' ' 52' ' ' ILE . 40.0 p -62.94 -25.65 68.44 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.921 0.888 . . . . 0.0 112.401 172.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -75.41 -38.0 60.1 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.47 -12.83 59.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -43.53 -57.51 3.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.819 1.248 . . . . 0.0 111.527 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.22 -21.9 74.18 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.665 -0.519 . . . . 0.0 114.204 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.01 -41.33 71.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.464 1.132 . . . . 0.0 110.193 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.298 1.4 m -71.35 -35.78 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.457 -0.783 . . . . 0.0 112.296 175.55 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.12 -38.24 70.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.177 1.353 . . . . 0.0 112.784 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -67.86 -23.02 65.09 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -69.53 -30.43 68.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.985 0.811 . . . . 0.0 112.087 169.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.17 2.76 38.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.778 1.231 . . . . 0.0 112.918 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.42 1.01 90.29 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.272 1.415 . . . . 0.0 115.845 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -91.62 125.46 36.36 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.482 1.641 . . . . 0.0 110.577 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.59 91.36 4.04 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.586 1.154 . . . . 0.0 108.783 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.25 151.8 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.899 3.066 . . . . 0.0 112.449 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -79.77 164.64 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.51 -35.56 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.927 -1.108 . . . . 0.0 112.049 172.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.17 82.98 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.953 0.901 . . . . 0.0 112.359 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.92 -47.17 86.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.436 0.694 . . . . 0.0 110.914 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.82 -49.29 78.08 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.682 -0.636 . . . . 0.0 112.46 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.88 -39.64 95.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.289 0.95 . . . . 0.0 112.02 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.94 -41.6 97.58 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.515 0.726 . . . . 0.0 112.302 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.6 mtm -68.27 -43.02 78.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.509 -0.744 . . . . 0.0 112.142 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 HD13 ' HB ' ' A' ' 29' ' ' THR . 56.7 mt -66.36 -26.6 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 118.881 0.764 . . . . 0.0 111.954 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.19 -25.2 58.62 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.732 -1.23 . . . . 0.0 112.796 173.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -82.25 -17.21 46.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 13.0 m -121.17 -22.67 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -169.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.52 46.27 1.7 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.334 0.97 . . . . 0.0 113.362 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.47 -24.98 64.04 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.148 -0.97 . . . . 0.0 113.405 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -83.08 -8.08 59.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.946 1.298 . . . . 0.0 114.369 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.65 39.34 56.04 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -75.86 -23.08 55.64 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.932 1.293 . . . . 0.0 112.739 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.71 18.99 79.03 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 126.879 2.18 . . . . 0.0 115.088 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -135.4 157.88 45.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.127 1.371 . . . . 0.0 113.518 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 mt -139.8 137.62 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 127.011 2.124 . . . . 0.0 108.611 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.57 159.22 18.67 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.683 0.674 . . . . 0.0 111.722 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -48.73 -56.22 16.06 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.36 -21.33 30.86 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.945 1.764 . . . . 0.0 113.102 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -41.16 68.47 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.435 0.561 . . . . 0.0 111.307 173.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -60.35 -39.99 89.13 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.15 -0.969 . . . . 0.0 112.18 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.34 -22.54 65.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -38.62 87.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.728 . . . . 0.0 112.645 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.88 -32.23 25.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.721 -0.612 . . . . 0.0 111.915 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mmm -64.77 -36.93 85.89 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.697 -0.627 . . . . 0.0 112.465 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.13 78.09 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.145 0.578 . . . . 0.0 112.103 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -71.67 -38.48 70.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.305 1.042 . . . . 0.0 112.246 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -67.04 -26.06 66.57 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.14 -33.51 61.55 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.545 1.066 . . . . 0.0 112.559 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.62 -34.84 72.55 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.242 1.017 . . . . 0.0 112.522 173.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -58.03 164.11 2.46 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.602 1.961 . . . . 0.0 113.648 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.3 m -139.61 148.44 42.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.006 1.722 . . . . 0.0 110.801 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.8 153.67 10.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.979 1.312 . . . . 0.0 114.426 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -61.69 130.11 44.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.299 1.039 . . . . 0.0 113.525 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.95 -34.18 77.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.51 1.124 . . . . 0.0 112.466 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.43 -42.45 98.7 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.678 0.791 . . . . 0.0 111.687 171.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.72 -47.85 61.62 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.6 0.76 . . . . 0.0 111.948 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.79 -46.21 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.954 0.902 . . . . 0.0 110.245 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.47 -42.5 98.88 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.864 0.866 . . . . 0.0 112.507 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -72.51 -39.5 67.57 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.881 0.764 . . . . 0.0 112.712 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.23 79.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.345 1.058 . . . . 0.0 112.421 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.96 -43.89 81.95 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.092 -1.005 . . . . 0.0 112.135 170.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -60.28 -26.27 66.36 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.25 -31.12 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.129 1.372 . . . . 0.0 112.734 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.0 m-85 -91.86 -21.76 20.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.671 1.188 . . . . 0.0 113.922 175.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -58.68 125.28 22.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.114 0.966 . . . . 0.0 110.204 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -68.04 -28.22 67.2 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.827 1.251 . . . . 0.0 113.808 -170.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -137.11 -9.91 1.74 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.21 25.74 54.2 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.413 1.006 . . . . 0.0 112.68 -169.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -79.71 -4.62 52.65 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.512 1.525 . . . . 0.0 114.188 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 19.04 64.2 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.855 1.217 . . . . 0.0 113.69 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.4 164.21 34.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.104 1.362 . . . . 0.0 111.665 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.8 mt -131.11 137.67 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.305 1.842 . . . . 0.0 108.837 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 m -64.57 141.86 58.62 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.266 -1.521 . . . . 0.0 111.685 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.96 87.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.329 -0.857 . . . . 0.0 112.598 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.12 72.2 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -75.47 -42.22 53.61 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.923 0.889 . . . . 0.0 112.145 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.4 -40.08 81.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.024 0.829 . . . . 0.0 110.776 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -61.03 -40.53 93.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.47 0.708 . . . . 0.0 111.8 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -56.27 -62.78 1.48 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.535 0.734 . . . . 0.0 110.448 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.804 HG23 HD12 ' A' ' 112' ' ' LEU . 14.4 p -64.66 -36.31 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 119.067 0.849 . . . . 0.0 113.101 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -68.47 -15.06 63.41 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -118.38 -1.69 11.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.704 1.202 . . . . 0.0 114.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -103.56 -37.77 7.42 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.896 1.678 . . . . 0.0 112.595 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.804 HD12 HG23 ' A' ' 108' ' ' VAL . 24.3 mt -123.87 159.57 29.36 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.24 1.416 . . . . 0.0 110.666 -169.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.14 -143.64 39.82 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.935 -0.575 . . . . 0.0 114.031 -170.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.13 -10.26 59.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.568 1.147 . . . . 0.0 113.547 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 60.08 103.18 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.14 2.576 . . . . 0.0 113.057 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.4 153.14 43.55 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.755 0.822 . . . . 0.0 111.82 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 160.66 28.16 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 121.636 -0.665 . . . . 0.0 110.407 169.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.77 -48.18 70.01 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -71.31 -29.79 65.46 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.917 -1.114 . . . . 0.0 112.467 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.84 -42.38 73.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.688 1.195 . . . . 0.0 111.537 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.61 -33.42 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.926 0.891 . . . . 0.0 111.981 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -63.95 -37.67 88.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.77 -1.206 . . . . 0.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -63.0 -25.02 68.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.813 0.845 . . . . 0.0 112.375 171.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.29 -53.56 13.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.097 0.862 . . . . 0.0 109.732 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.1 mm -58.05 -34.58 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.862 0.756 . . . . 0.0 111.284 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -48.84 -46.2 41.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.256 1.422 . . . . 0.0 113.03 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -43.62 12.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.43 0.634 . . . . 0.0 111.976 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.608 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -70.68 -35.6 72.89 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.445 1.898 . . . . 0.0 113.822 -168.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -76.53 67.22 2.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.556 1.542 . . . . 0.0 111.888 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.72 -30.5 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.606 1.562 . . . . 0.0 111.812 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.27 -18.8 60.68 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.75 10.11 63.58 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.11 1.338 . . . . 0.0 114.861 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -121.83 30.58 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.879 2.072 . . . . 0.0 112.427 -171.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.03 28.63 71.45 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.017 -1.052 . . . . 0.0 113.579 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -126.44 90.42 3.17 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.804 1.642 . . . . 0.0 108.993 -175.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' A' ' 128' ' ' ALA . 22.5 t -64.06 121.06 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 121.851 -0.531 . . . . 0.0 109.719 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -95.02 88.03 5.11 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.885 0.85 . . . . 0.0 109.928 172.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 142' ' ' VAL . 3.9 p90 -59.13 -32.78 70.16 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.505 -174.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -60.05 -41.04 91.48 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.261 1.391 . . . . 0.0 112.178 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -78.82 -30.88 45.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.953 0.901 . . . . 0.0 112.482 171.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.52 -38.94 91.91 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.474 -0.766 . . . . 0.0 112.543 174.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 138' ' ' TYR . 3.1 t -59.38 -49.49 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.166 0.894 . . . . 0.0 109.635 172.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -64.7 -34.17 77.68 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.902 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.78 -48.34 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.401 1.48 . . . . 0.0 113.132 172.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.18 -37.99 87.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.588 1.086 . . . . 0.0 112.027 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.9 p -83.34 2.13 37.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.382 1.473 . . . . 0.0 114.709 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.8 153.0 43.08 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.178 -0.951 . . . . 0.0 112.876 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.854 1.662 . . . . 0.0 110.84 172.828 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 CA-C-O 119.897 -0.391 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.43 -11.93 20.7 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.758 2.972 . . . . 0.0 114.911 -174.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 74.21 8.39 79.2 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.407 1.003 . . . . 0.0 115.201 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 68.3 m -143.99 166.16 25.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.921 2.089 . . . . 0.0 111.161 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 64.7 pttt -65.46 -0.13 1.8 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -49.16 -38.42 25.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.096 1.758 . . . . 0.0 113.843 -174.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.99 -39.79 82.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.643 1.177 . . . . 0.0 112.972 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -84.51 -39.39 18.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.244 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.16 -46.2 79.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.144 1.377 . . . . 0.0 112.089 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.439 ' HA ' HD13 ' A' ' 112' ' ' LEU . 28.2 tt0 -66.87 -24.39 66.12 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.4 m -101.11 -30.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.752 1.221 . . . . 0.0 112.487 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 69.6 m -55.86 -39.92 72.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.493 1.117 . . . . 0.0 110.66 169.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.63 88.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.539 0.736 . . . . 0.0 110.255 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.04 -38.16 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.239 -0.913 . . . . 0.0 112.39 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.8 mt -58.78 -44.03 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.244 1.017 . . . . 0.0 110.669 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -70.76 -39.47 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.168 0.987 . . . . 0.0 110.896 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.38 -43.07 99.51 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.55 1.068 . . . . 0.0 111.588 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -60.46 -49.19 78.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.102 0.961 . . . . 0.0 111.323 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.9 75.06 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.37 0.668 . . . . 0.0 112.699 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.05 -52.11 31.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -29.26 69.47 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.766 1.167 . . . . 0.0 111.67 175.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -62.68 -40.19 96.32 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.335 0.97 . . . . 0.0 111.83 169.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 60.3 t80 -70.42 -33.85 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.762 1.225 . . . . 0.0 113.227 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.89 -34.44 65.54 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.259 -0.901 . . . . 0.0 112.335 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.67 -21.72 62.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 90.3 mttt -83.43 -45.07 14.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.442 1.497 . . . . 0.0 111.882 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -0.08 49.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -176.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.24 144.09 36.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.071 1.348 . . . . 0.0 114.189 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 7.2 p -66.45 148.85 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.885 1.274 . . . . 0.0 112.025 176.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -63.64 135.49 56.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 111.356 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.427 1.891 . . . . 0.0 112.614 179.648 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -76.03 -10.69 59.62 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -68.85 130.61 43.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.071 -1.018 . . . . 0.0 111.311 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.11 132.71 34.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 110.786 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -86.81 165.51 15.94 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.883 1.273 . . . . 0.0 110.33 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.96 -28.88 68.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.203 -0.936 . . . . 0.0 112.359 171.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.19 -42.42 65.87 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.022 0.929 . . . . 0.0 112.192 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -65.64 -38.73 90.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.546 -0.721 . . . . 0.0 112.024 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.2 mt -66.2 -39.62 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.812 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.59 88.37 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.649 1.113 . . . . 0.0 112.815 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.84 -47.22 81.64 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.228 -0.92 . . . . 0.0 111.684 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -67.29 -34.57 77.68 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.638 0.775 . . . . 0.0 111.786 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.07 -53.57 51.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.647 1.579 . . . . 0.0 110.491 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.44 -52.25 59.0 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.51 71.57 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -74.13 -50.89 17.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.693 0.797 . . . . 0.0 111.721 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -25.24 66.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.747 1.219 . . . . 0.0 112.635 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.59 -23.05 15.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.644 1.578 . . . . 0.0 114.018 171.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CD2' HG22 ' A' ' 35' ' ' VAL . 63.0 m-85 -117.92 0.26 11.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.855 1.662 . . . . 0.0 113.252 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -73.02 114.2 10.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.325 -0.86 . . . . 0.0 110.411 172.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.45 -11.94 50.41 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.75 -21.75 8.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.753 1.221 . . . . 0.0 114.093 -175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.08 7.39 88.57 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.547 1.07 . . . . 0.0 113.963 -170.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.89 -3.96 53.18 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.364 1.466 . . . . 0.0 114.06 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 33.32 20.44 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.562 1.077 . . . . 0.0 113.814 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -139.97 159.37 42.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.589 1.156 . . . . 0.0 113.579 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 pt -137.23 170.81 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 127.261 2.224 . . . . 0.0 110.954 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -83.0 159.57 22.18 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.169 0.985 . . . . 0.0 112.768 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.476 ' HB ' HD13 ' A' ' 52' ' ' ILE . 39.5 p -61.0 -25.47 66.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.411 1.085 . . . . 0.0 112.748 171.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.29 -42.58 65.35 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.679 1.192 . . . . 0.0 112.455 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.36 -16.74 61.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.69 1.196 . . . . 0.0 113.881 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -57.69 6.48 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.394 1.078 . . . . 0.0 111.391 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -26.5 70.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.497 -0.752 . . . . 0.0 113.238 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 m -74.53 -36.8 63.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.287 1.043 . . . . 0.0 111.874 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG22 ' CD2' ' A' ' 19' ' ' PHE . 43.6 t -63.27 -39.75 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 123.467 0.707 . . . . 0.0 110.239 169.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.7 mtp -65.38 -39.21 91.98 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.867 -1.146 . . . . 0.0 112.618 172.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -61.57 -35.94 79.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.228 0.922 . . . . 0.0 112.325 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -63.41 -36.39 83.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.52 0.728 . . . . 0.0 111.964 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.24 27.84 0.47 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.149 1.779 . . . . 0.0 113.88 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.56 15.63 73.31 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 117.362 1.705 . . . . 0.0 117.362 168.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -140.16 132.86 28.93 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.572 1.686 . . . . 0.0 112.432 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -112.23 86.23 7.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.565 1.146 . . . . 0.0 111.784 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.62 154.61 72.96 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.775 2.983 . . . . 0.0 112.565 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -74.88 163.09 28.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.873 0.869 . . . . 0.0 111.755 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.32 -35.98 76.86 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.127 -0.983 . . . . 0.0 112.189 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.23 74.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.874 0.87 . . . . 0.0 112.252 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.25 -41.12 97.12 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 0.0 111.553 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.4 mt -61.6 -47.59 84.77 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.292 0.637 . . . . 0.0 111.707 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.54 -40.88 88.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.128 0.877 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.57 -37.62 88.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.063 0.945 . . . . 0.0 112.989 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.8 mtm -73.87 -40.0 63.53 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.9 0.773 . . . . 0.0 112.54 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.476 HD13 ' HB ' ' A' ' 29' ' ' THR . 49.6 mt -65.25 -28.83 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -57.79 -30.37 65.62 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.9 1.227 . . . . 0.0 113.599 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.88 -17.92 49.02 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 174.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.62 -42.5 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.102 1.761 . . . . 0.0 113.049 -169.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -122.37 48.67 1.71 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.148 1.779 . . . . 0.0 112.222 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.36 -24.1 64.81 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.214 -0.929 . . . . 0.0 113.161 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.83 -13.67 59.82 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.986 1.314 . . . . 0.0 113.937 174.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.04 30.95 69.55 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.675 1.131 . . . . 0.0 115.05 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -76.65 -17.98 58.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.608 1.204 . . . . 0.0 113.536 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.58 18.39 73.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.579 1.561 . . . . 0.0 114.556 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.8 p -134.14 160.06 38.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.991 1.317 . . . . 0.0 113.904 -174.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.8 mt -141.93 136.4 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.072 2.149 . . . . 0.0 109.192 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.73 157.1 17.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.52 0.728 . . . . 0.0 111.409 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -45.1 -55.86 10.36 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.84 -23.32 26.01 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.711 1.607 . . . . 0.0 113.573 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.0 -30.02 61.04 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.557 -0.715 . . . . 0.0 111.916 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -67.32 -41.75 84.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.856 0.862 . . . . 0.0 112.408 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.67 -21.1 65.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -59.76 -38.03 80.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.707 0.685 . . . . 0.0 112.65 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -83.7 -29.65 27.38 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.437 -0.789 . . . . 0.0 112.536 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mmm -61.12 -38.39 86.19 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.138 0.575 . . . . 0.0 110.969 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.38 77.19 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.13 -42.46 80.16 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.011 -1.056 . . . . 0.0 111.892 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.54 -28.11 69.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.952 0.901 . . . . 0.0 112.902 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mtp -80.5 -6.03 57.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.721 1.608 . . . . 0.0 114.746 173.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -77.75 39.87 0.29 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.318 1.447 . . . . 0.0 114.749 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.31 120.42 10.37 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.996 -1.065 . . . . 0.0 110.106 169.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.3 m -142.59 136.39 29.16 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.857 1.263 . . . . 0.0 111.096 -169.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -90.48 121.52 32.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.153 0.981 . . . . 0.0 111.122 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.7 t -73.7 131.07 41.22 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.938 0.895 . . . . 0.0 112.676 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -58.98 -42.18 89.36 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.444 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -75.88 -29.31 58.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.321 -0.862 . . . . 0.0 112.377 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -67.91 -44.49 76.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.665 -0.647 . . . . 0.0 111.492 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -58.29 -47.08 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.867 0.867 . . . . 0.0 110.165 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -55.97 -49.06 74.61 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -69.0 -38.95 79.57 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.152 0.887 . . . . 0.0 112.275 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.6 1.16 . . . . 0.0 113.532 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.1 -42.85 36.42 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.236 -0.915 . . . . 0.0 110.989 168.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -61.15 -28.88 69.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.478 1.111 . . . . 0.0 113.753 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.5 -19.93 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 170.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -96.66 -16.16 21.11 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.212 1.405 . . . . 0.0 113.592 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -59.43 135.37 57.64 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.225 1.41 . . . . 0.0 111.497 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.43 -35.35 75.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.456 1.502 . . . . 0.0 113.701 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -150.64 9.17 0.6 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 26.44 66.11 Favored Glycine 0 CA--C 1.54 1.616 0 O-C-N 120.792 -1.193 . . . . 0.0 112.253 -168.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -83.39 -3.24 57.35 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.083 1.753 . . . . 0.0 114.004 -173.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 19.65 56.78 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.503 1.525 . . . . 0.0 114.096 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 166.31 31.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.921 1.288 . . . . 0.0 111.485 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.67 136.46 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.623 1.569 . . . . 0.0 109.396 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m -66.65 142.94 57.27 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.646 -1.284 . . . . 0.0 111.912 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.92 90.09 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.245 -0.909 . . . . 0.0 112.802 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.38 72.02 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -73.04 -44.29 60.95 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.76 0.824 . . . . 0.0 111.776 176.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HA ' HG22 ' A' ' 108' ' ' VAL . 11.4 tp -69.07 -37.52 78.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.829 0.741 . . . . 0.0 111.324 174.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -61.65 -38.51 87.98 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.889 -1.132 . . . . 0.0 111.722 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -60.9 -61.11 2.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.352 171.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 105' ' ' LEU . 2.9 m -58.19 -39.4 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.983 1.719 . . . . 0.0 112.732 -175.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -75.29 -13.85 60.46 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.9 p -119.9 -4.05 10.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.063 1.345 . . . . 0.0 114.219 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.43 -23.63 15.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 113.083 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mt -131.94 169.38 16.38 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.565 1.546 . . . . 0.0 111.018 -169.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.25 -139.44 40.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 121.885 0.714 . . . . 0.0 114.322 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -78.14 -7.14 56.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.195 1.398 . . . . 0.0 112.8 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt 53.91 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.936 2.894 . . . . 0.0 113.311 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.62 152.7 29.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.323 1.049 . . . . 0.0 112.727 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -69.01 161.08 29.74 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.405 1.082 . . . . 0.0 111.03 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -56.29 -48.79 75.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.018 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.81 -32.02 68.97 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.271 -0.893 . . . . 0.0 112.469 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.13 -43.92 73.4 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.404 1.482 . . . . 0.0 111.931 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -73.87 -32.66 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 123.503 0.721 . . . . 0.0 111.874 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.13 -36.39 74.75 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.878 -1.139 . . . . 0.0 111.622 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.82 -30.33 65.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.877 0.871 . . . . 0.0 112.114 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -66.41 -56.39 11.27 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.931 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.3 mm -57.02 -37.94 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.782 1.174 . . . . 0.0 112.136 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -55.75 -23.75 31.24 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.395 1.478 . . . . 0.0 114.551 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -123.2 -27.09 4.21 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.912 1.285 . . . . 0.0 114.088 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.469 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -67.96 -33.7 75.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.519 1.928 . . . . 0.0 112.062 172.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.94 116.95 34.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.596 1.158 . . . . 0.0 109.578 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.3 -29.26 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.903 1.281 . . . . 0.0 112.12 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -98.16 -27.83 14.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.75 1.22 . . . . 0.0 113.624 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.08 11.83 81.87 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.243 1.401 . . . . 0.0 114.657 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -78.42 -3.55 43.88 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.203 1.401 . . . . 0.0 114.26 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.44 26.16 10.29 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.219 1.866 . . . . 0.0 114.014 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -129.33 97.65 4.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.469 HG13 ' HB1' ' A' ' 128' ' ' ALA . 14.9 t -66.08 129.26 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.67 -0.643 . . . . 0.0 109.606 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.86 92.09 4.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.104 0.954 . . . . 0.0 110.32 171.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -62.68 -24.09 67.46 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.395 -172.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.3 -33.97 77.05 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.466 1.03 . . . . 0.0 113.381 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.68 -39.73 43.91 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.44 -0.788 . . . . 0.0 110.806 169.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.88 -44.62 80.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.72 0.808 . . . . 0.0 113.067 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.33 -41.75 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.199 0.999 . . . . 0.0 111.702 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.02 -45.02 90.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.375 1.07 . . . . 0.0 112.428 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.6 ttp -64.69 -45.41 86.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.561 0.745 . . . . 0.0 112.378 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.8 ttp -66.53 -39.34 88.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.452 1.501 . . . . 0.0 111.924 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 81.8 p -86.46 -2.11 58.16 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.98 152.86 22.69 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.67 1.123 . . . . 0.0 113.93 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.214 1.406 . . . . 0.0 112.264 175.655 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.58 150.87 79.47 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 124.141 3.227 . . . . 0.0 114.13 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -170.24 130.44 2.02 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.27 0.938 . . . . 0.0 113.245 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 35.6 t -159.78 167.53 28.01 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.857 2.063 . . . . 0.0 109.822 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.6 -41.92 61.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.685 1.194 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -56.25 -32.84 64.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.174 1.39 . . . . 0.0 113.493 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 81.9 tttt -63.47 -40.36 96.91 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.049 1.34 . . . . 0.0 112.452 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -83.4 -40.58 19.17 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.922 0.889 . . . . 0.0 112.102 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.31 -47.93 77.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.45 1.5 . . . . 0.0 111.81 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.23 -29.35 70.45 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.7 m -93.31 -32.56 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 61.2 m -59.3 -41.03 88.01 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.728 1.211 . . . . 0.0 111.028 172.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -54.92 -44.63 74.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.76 -0.588 . . . . 0.0 110.942 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -60.77 -36.09 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.887 0.875 . . . . 0.0 112.134 -172.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.5 mt -58.71 -42.01 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 111.032 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.81 -40.13 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.396 1.078 . . . . 0.0 110.581 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.87 -42.33 99.72 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.293 1.406 . . . . 0.0 112.281 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -56.4 -55.64 31.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.692 1.197 . . . . 0.0 110.734 172.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.89 78.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.898 0.879 . . . . 0.0 112.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.85 -50.81 63.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.28 0.632 . . . . 0.0 111.934 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -63.26 -34.17 77.08 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.592 -0.692 . . . . 0.0 112.153 173.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -56.28 -45.91 79.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.046 0.938 . . . . 0.0 110.495 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -66.48 -40.87 89.54 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.782 0.833 . . . . 0.0 112.778 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.04 -37.03 76.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 112.414 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.35 -46.86 59.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.0 0.92 . . . . 0.0 111.779 171.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.996 1.718 . . . . 0.0 113.385 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -58.27 -11.62 2.89 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.44 -35.17 80.06 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.945 1.248 . . . . 0.0 112.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 48.2 t -74.28 142.34 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.668 1.587 . . . . 0.0 110.46 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -119.97 156.73 30.28 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.584 1.554 . . . . 0.0 111.484 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.992 1.717 . . . . 0.0 111.544 -174.161 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.516 0.198 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -74.43 74.7 1.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 111.505 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -140.93 154.49 46.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.349 1.86 . . . . 0.0 111.53 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.76 149.62 28.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 112.302 174.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 p -73.84 161.0 30.64 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 0.0 111.06 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -60.29 -33.03 71.77 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.872 -1.142 . . . . 0.0 112.497 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.47 -43.79 76.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.12 0.968 . . . . 0.0 112.225 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -62.23 -44.64 96.12 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.332 0.653 . . . . 0.0 111.218 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.18 -44.36 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 110.64 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.8 81.71 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.687 0.795 . . . . 0.0 113.092 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -66.15 -46.59 76.95 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.262 -0.899 . . . . 0.0 112.004 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.5 -33.38 75.8 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.63 0.772 . . . . 0.0 112.316 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -52.91 -51.41 61.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.746 1.618 . . . . 0.0 110.997 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.44 -50.82 57.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 0.0 111.643 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.79 70.99 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.14 -50.99 16.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.153 0.981 . . . . 0.0 111.541 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -59.79 -26.38 65.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.559 1.143 . . . . 0.0 112.686 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.97 -22.14 14.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.699 1.6 . . . . 0.0 114.108 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 35' ' ' VAL . 53.8 m-85 -121.1 4.58 10.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.905 1.682 . . . . 0.0 113.179 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -71.56 111.62 7.01 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.308 173.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -74.17 -19.11 60.66 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -120.75 -21.38 6.67 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -170.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.72 9.08 85.09 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.85 1.214 . . . . 0.0 113.956 -170.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -83.16 -2.82 56.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.345 1.458 . . . . 0.0 114.243 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.28 32.25 26.05 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.579 1.085 . . . . 0.0 113.679 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -138.75 159.09 42.95 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.206 1.402 . . . . 0.0 112.613 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -131.64 169.82 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.534 1.934 . . . . 0.0 110.39 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.8 p -82.35 157.88 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 112.049 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 p -60.7 -27.51 67.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.945 0.898 . . . . 0.0 112.53 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.47 -43.41 77.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.53 1.132 . . . . 0.0 112.663 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -80.8 -6.64 58.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -55.69 17.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.772 1.169 . . . . 0.0 111.112 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.27 72.98 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.23 -0.919 . . . . 0.0 113.204 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -67.38 -41.64 84.7 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.329 1.065 . . . . 0.0 111.488 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 19' ' ' PHE . 51.9 t -64.31 -40.91 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 110.874 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.1 mtp -64.1 -37.55 87.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.936 -1.103 . . . . 0.0 112.649 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -67.2 -34.08 76.75 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.234 1.014 . . . . 0.0 113.162 173.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 t -62.89 -35.86 81.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.356 0.663 . . . . 0.0 111.769 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.73 20.99 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.904 1.681 . . . . 0.0 114.257 170.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.49 2.21 63.09 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.045 1.307 . . . . 0.0 116.131 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.54 179.53 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.539 1.169 . . . . 0.0 110.447 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -159.76 77.05 2.89 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.087 -1.008 . . . . 0.0 110.045 166.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -68.22 154.99 70.99 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.122 3.214 . . . . 0.0 112.522 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.5 p -77.74 161.74 27.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.908 0.883 . . . . 0.0 111.956 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -57.35 -42.47 82.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.293 -0.879 . . . . 0.0 111.477 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.97 99.52 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.13 0.572 . . . . 0.0 112.298 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.5 -45.2 72.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.277 0.631 . . . . 0.0 112.212 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.65 -46.82 86.32 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.291 0.636 . . . . 0.0 111.467 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.13 -37.85 88.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.896 0.878 . . . . 0.0 112.177 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.55 -40.34 89.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.503 -0.748 . . . . 0.0 112.746 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.1 mtm -68.2 -41.79 80.83 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.21 -0.931 . . . . 0.0 111.925 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.98 -29.73 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.085 0.954 . . . . 0.0 111.836 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.0 -31.13 69.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.048 1.295 . . . . 0.0 112.817 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -85.1 -47.8 9.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.603 171.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -67.94 -39.67 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.643 1.177 . . . . 0.0 113.577 -175.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -116.27 45.17 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.166 1.786 . . . . 0.0 112.283 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -26.13 63.53 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -85.79 -5.46 59.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.914 1.285 . . . . 0.0 114.337 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.09 40.3 56.76 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.497 1.046 . . . . 0.0 115.3 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -76.44 -22.98 53.95 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.113 1.365 . . . . 0.0 113.215 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 16.92 78.11 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.743 1.64 . . . . 0.0 114.445 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.3 p -138.1 159.46 41.98 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.321 1.448 . . . . 0.0 113.596 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.8 mt -139.86 136.02 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 127.133 2.173 . . . . 0.0 108.78 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.03 156.77 18.65 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.784 0.72 . . . . 0.0 111.374 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.47 -54.05 20.72 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.53 -23.28 27.47 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.808 1.672 . . . . 0.0 113.46 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.43 -37.15 63.4 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.51 -0.744 . . . . 0.0 111.478 174.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.25 -41.49 98.49 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.489 -0.757 . . . . 0.0 111.99 171.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.71 -19.13 64.7 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -36.54 79.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.556 1.071 . . . . 0.0 112.755 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.83 -34.51 24.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.736 -0.602 . . . . 0.0 112.202 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.56 -36.71 83.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.961 0.504 . . . . 0.0 111.115 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -42.6 72.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.635 0.774 . . . . 0.0 112.647 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -80.83 -39.52 26.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.072 0.949 . . . . 0.0 112.967 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -57.7 -37.95 74.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.315 1.046 . . . . 0.0 112.273 171.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.8 mmm -73.95 -21.85 59.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.296 . . . . 0.0 113.701 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 42.61 0.56 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.374 1.869 . . . . 0.0 112.957 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -62.45 114.16 3.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.744 2.018 . . . . 0.0 113.065 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 m -158.03 133.15 8.66 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.561 1.944 . . . . 0.0 110.175 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.59 31.15 0.41 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.917 1.687 . . . . 0.0 115.317 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 m 58.36 78.21 0.26 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.073 1.749 . . . . 0.0 113.282 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -54.7 -43.12 72.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.903 1.681 . . . . 0.0 114.269 -173.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.36 -33.95 75.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.469 0.708 . . . . 0.0 112.198 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -68.11 -44.26 76.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.53 -0.731 . . . . 0.0 111.294 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.31 -47.28 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.842 0.857 . . . . 0.0 110.275 174.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -56.87 -47.85 79.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.272 0.629 . . . . 0.0 112.574 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -70.81 -38.66 73.33 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.186 0.903 . . . . 0.0 112.547 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.51 68.58 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.856 1.262 . . . . 0.0 113.13 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.15 -42.56 31.36 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.161 -0.962 . . . . 0.0 111.39 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -61.78 -28.48 69.48 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.316 -0.865 . . . . 0.0 113.208 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.57 -23.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -92.35 -23.07 19.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.174 1.39 . . . . 0.0 113.317 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -68.79 71.21 0.21 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.992 1.317 . . . . 0.0 109.484 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -62.02 -19.74 63.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.761 1.624 . . . . 0.0 114.027 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -97.91 -14.36 20.7 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 114.218 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.35 36.96 63.09 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.382 1.468 . . . . 0.0 114.974 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -100.98 4.21 42.28 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -174.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.29 69.23 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 120.892 -1.13 . . . . 0.0 114.303 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -155.4 166.01 34.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.553 1.941 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -121.48 150.81 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.264 1.425 . . . . 0.0 108.904 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -77.42 142.79 39.05 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.377 -1.452 . . . . 0.0 111.122 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.38 79.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.974 -1.079 . . . . 0.0 112.804 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.5 72.36 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -73.76 -44.65 55.53 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.643 0.777 . . . . 0.0 111.814 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.437 ' HA ' HG22 ' A' ' 108' ' ' VAL . 8.0 tp -69.51 -36.75 76.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.493 1.042 . . . . 0.0 111.096 175.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -62.71 -37.23 85.7 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.75 1.159 . . . . 0.0 111.898 169.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -60.63 -63.91 1.14 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.007 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 105' ' ' LEU . 2.8 m -57.78 -38.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 121.265 1.848 . . . . 0.0 113.119 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -76.07 -12.73 60.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 p -124.79 -6.58 7.38 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.689 1.195 . . . . 0.0 114.09 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -92.7 -24.64 18.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 112.777 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 mt -133.68 164.71 26.61 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.481 1.912 . . . . 0.0 109.917 -169.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.64 -153.75 51.07 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 173.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -78.97 51.19 1.1 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.531 1.932 . . . . 0.0 111.483 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -13.53 111.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.083 3.753 . . . . 0.0 114.81 -169.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.41 146.46 39.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.6 m -66.88 158.56 30.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.472 0.709 . . . . 0.0 110.087 171.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -52.48 -45.34 66.11 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.583 1.153 . . . . 0.0 113.556 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.09 -28.88 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.496 -0.753 . . . . 0.0 112.735 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.69 -43.8 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.604 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.43 -34.76 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 123.081 0.552 . . . . 0.0 111.194 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.16 -39.22 92.66 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.413 -0.805 . . . . 0.0 112.456 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -57.64 -44.44 85.62 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.941 0.896 . . . . 0.0 110.571 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.0 ttm -59.33 -47.01 87.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.152 0.981 . . . . 0.0 111.766 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.71 -47.43 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.606 1.094 . . . . 0.0 110.308 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -58.76 -26.65 64.2 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -107.71 -19.52 13.51 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.93 -28.85 21.25 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -77.33 67.16 3.23 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.55 1.54 . . . . 0.0 111.337 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.1 pt -63.57 -20.86 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.177 0.991 . . . . 0.0 113.484 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -81.72 -15.73 53.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.51 1.124 . . . . 0.0 113.584 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.85 31.57 80.85 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.523 1.059 . . . . 0.0 113.313 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -137.38 23.71 2.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.465 1.506 . . . . 0.0 113.358 -169.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.56 23.24 75.83 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.713 -1.242 . . . . 0.0 114.374 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -123.09 89.29 3.08 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.347 1.459 . . . . 0.0 109.506 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.06 107.92 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 124.322 1.049 . . . . 0.0 111.192 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -83.28 93.15 7.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.838 0.828 . . . . 0.0 110.395 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -64.84 -26.77 68.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.939 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.71 -34.49 73.96 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.738 1.154 . . . . 0.0 112.7 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -75.35 -39.71 58.99 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.276 -0.89 . . . . 0.0 110.596 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.51 -40.83 96.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.29 1.036 . . . . 0.0 113.423 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.02 -42.86 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.032 0.833 . . . . 0.0 111.484 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.62 -40.25 96.43 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.795 0.838 . . . . 0.0 112.06 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.9 ttp -65.9 -45.9 80.27 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.448 0.699 . . . . 0.0 112.434 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.5 mtm -67.77 -42.24 82.01 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 48.5 p -75.75 -12.14 60.13 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.35 121.26 13.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.264 0.938 . . . . 0.0 110.726 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.29 1.436 . . . . 0.0 112.333 -175.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.11 159.36 30.5 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 124.085 3.19 . . . . 0.0 114.424 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -66.34 -21.65 70.51 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 115.421 0.928 . . . . 0.0 115.421 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.5 m -67.22 130.92 44.63 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.509 1.154 . . . . 0.0 113.061 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -78.6 106.82 10.83 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.849 1.26 . . . . 0.0 109.75 169.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -54.14 -33.07 56.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -171.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.12 -36.78 77.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.061 0.944 . . . . 0.0 112.948 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -80.49 -33.05 36.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.919 1.287 . . . . 0.0 112.129 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -54.95 -48.66 72.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.381 1.472 . . . . 0.0 112.094 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.66 -26.95 66.46 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.6 m -94.4 -32.25 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.177 0.991 . . . . 0.0 111.848 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.6 m -58.07 -40.29 80.65 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.848 1.259 . . . . 0.0 111.401 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.98 77.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.761 0.425 . . . . 0.0 110.459 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.4 -37.24 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.474 0.709 . . . . 0.0 112.162 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -58.14 -43.48 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 110.731 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.78 -41.36 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.061 0.944 . . . . 0.0 111.002 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.99 -43.63 98.56 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.662 1.119 . . . . 0.0 112.526 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.02 -41.16 78.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.504 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.72 81.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.153 0.581 . . . . 0.0 112.173 169.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 53.4 t80 -69.91 -48.26 59.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.81 -31.7 72.75 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.011 -1.055 . . . . 0.0 112.041 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 46.1 tpt85 -63.96 -37.16 86.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.144 0.883 . . . . 0.0 112.069 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.0 t80 -71.22 -37.07 72.06 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.49 -34.44 58.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.371 -0.831 . . . . 0.0 112.554 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.44 -37.22 72.47 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.815 0.846 . . . . 0.0 112.499 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -68.35 -31.17 70.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.759 1.224 . . . . 0.0 112.342 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -76.94 -36.2 56.72 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.475 0.71 . . . . 0.0 112.228 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.64 -40.11 69.94 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.352 1.461 . . . . 0.0 113.661 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 49.2 t -62.73 133.57 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.063 0.945 . . . . 0.0 110.946 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -61.35 135.26 57.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.603 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.958 1.703 . . . . 0.0 111.533 172.703 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.662 0.267 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -86.71 -8.69 57.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.014 1.326 . . . . 0.0 114.296 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -61.88 149.02 41.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.101 -0.999 . . . . 0.0 113.679 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.99 144.56 25.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 p -82.97 160.63 21.98 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.004 1.322 . . . . 0.0 110.44 167.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -59.02 -30.28 67.89 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.287 -0.883 . . . . 0.0 112.891 172.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -71.26 -44.86 64.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.099 0.96 . . . . 0.0 111.901 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -62.35 -42.48 99.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.483 0.713 . . . . 0.0 111.04 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.0 mt -62.63 -43.59 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.509 -0.757 . . . . 0.0 111.044 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.61 76.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.666 1.121 . . . . 0.0 113.026 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.07 -45.34 85.71 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.79 -1.194 . . . . 0.0 111.576 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -68.1 -32.78 73.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -57.95 -50.24 74.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.803 1.641 . . . . 0.0 111.234 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.02 -49.79 71.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.199 0.599 . . . . 0.0 111.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.35 75.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -73.26 -48.2 36.76 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.308 0.958 . . . . 0.0 112.042 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -59.75 -25.25 64.71 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.333 1.053 . . . . 0.0 112.565 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.08 -20.79 10.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.773 1.629 . . . . 0.0 114.661 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 35' ' ' VAL . 26.7 m-85 -129.78 6.71 5.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.419 1.488 . . . . 0.0 112.983 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -67.57 130.38 42.84 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.157 0.983 . . . . 0.0 110.308 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -58.68 -35.07 72.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.342 1.857 . . . . 0.0 115.006 -172.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -158.25 9.94 0.16 Allowed 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.14 23.57 48.04 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 112.614 -168.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -81.02 -8.69 59.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.424 1.49 . . . . 0.0 113.766 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.75 59.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.9 1.238 . . . . 0.0 113.913 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.4 p -141.96 148.93 39.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.621 1.211 . . . . 0.0 113.5 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 pt -120.64 172.41 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.239 2.216 . . . . 0.0 110.524 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -85.56 157.86 20.28 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.24 1.019 . . . . 0.0 112.248 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.444 ' HB ' HD13 ' A' ' 52' ' ' ILE . 25.6 p -61.39 -29.77 70.13 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -74.33 -35.0 63.61 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -18.7 57.32 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.258 174.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.6 -60.13 2.14 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.032 1.333 . . . . 0.0 111.656 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.9 -26.07 68.49 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.923 -0.376 . . . . 0.0 113.501 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 m -73.76 -36.86 65.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.261 1.031 . . . . 0.0 111.574 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.326 2.0 m -71.17 -30.67 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 121.631 -0.668 . . . . 0.0 111.594 170.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.2 mtp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.034 -1.041 . . . . 0.0 112.082 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -60.31 -38.77 84.73 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.157 0.983 . . . . 0.0 111.992 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -63.0 -29.97 71.24 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.626 0.77 . . . . 0.0 112.813 171.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.37 23.29 3.0 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.401 1.88 . . . . 0.0 113.992 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.38 27.63 65.38 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 168.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.27 139.02 22.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.096 1.448 . . . . 0.0 112.352 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -109.89 88.17 6.48 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 123.861 0.864 . . . . 0.0 110.869 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -66.4 152.53 80.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.489 2.792 . . . . 0.0 112.09 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -73.19 161.07 30.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.443 0.639 . . . . 0.0 111.691 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -60.01 -37.39 79.6 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.229 -0.92 . . . . 0.0 111.796 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.95 79.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.017 0.927 . . . . 0.0 112.568 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -65.36 -44.42 87.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.7 0.8 . . . . 0.0 111.719 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.65 -46.7 89.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.351 0.66 . . . . 0.0 111.42 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.29 -41.05 88.06 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.618 0.767 . . . . 0.0 112.278 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.45 -42.86 95.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.772 0.829 . . . . 0.0 112.352 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.0 mtm -66.99 -42.28 85.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.471 -0.768 . . . . 0.0 112.072 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.444 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.2 mt -67.84 -29.29 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.778 0.831 . . . . 0.0 111.714 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -62.62 -27.91 69.53 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.1 1.318 . . . . 0.0 113.024 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.3 -45.59 11.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.793 0.837 . . . . 0.0 112.459 171.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 t -71.17 -39.67 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.23 1.412 . . . . 0.0 113.473 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.58 48.32 1.3 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.124 1.77 . . . . 0.0 112.204 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -25.97 62.94 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -92.24 0.05 57.44 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.942 1.297 . . . . 0.0 114.221 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 41.15 70.68 Favored Glycine 0 CA--C 1.538 1.473 0 O-C-N 120.786 -1.196 . . . . 0.0 115.512 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -76.29 -22.77 54.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.144 1.378 . . . . 0.0 113.262 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.47 17.88 78.06 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.837 1.685 . . . . 0.0 114.374 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.1 p -139.58 160.52 39.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.125 1.37 . . . . 0.0 113.553 -173.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.29 135.81 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.613 1.965 . . . . 0.0 108.764 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.82 156.57 20.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.917 0.887 . . . . 0.0 112.434 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -46.54 -56.01 12.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.17 -22.23 30.49 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.783 1.656 . . . . 0.0 113.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -72.61 -38.67 67.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.835 0.743 . . . . 0.0 111.41 173.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.43 -40.42 96.52 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.381 -0.824 . . . . 0.0 112.244 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.81 -19.02 63.65 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -34.53 77.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.109 0.868 . . . . 0.0 112.96 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -83.92 -37.65 22.06 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.426 -0.796 . . . . 0.0 111.292 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.4 mmm -63.54 -21.26 66.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.74 75.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.994 0.918 . . . . 0.0 112.796 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.38 -35.94 8.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.497 1.519 . . . . 0.0 113.329 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.53 10.43 3.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.871 2.468 . . . . 0.0 113.857 172.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 ttm -58.78 116.29 3.65 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -168.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.35 45.1 1.15 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.814 1.646 . . . . 0.0 111.46 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.38 -19.55 35.84 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 48.2 p -64.28 145.81 55.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 0.0 112.429 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.91 134.33 56.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.581 1.152 . . . . 0.0 112.331 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.0 m -64.69 128.43 35.74 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.794 1.238 . . . . 0.0 114.315 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.18 -46.38 90.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 112.781 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.4 -32.94 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.952 0.901 . . . . 0.0 112.144 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -68.68 -46.8 68.11 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.615 0.766 . . . . 0.0 111.043 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.28 -46.87 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.12 0.968 . . . . 0.0 110.217 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.11 -43.59 95.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -72.16 -40.43 67.99 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.522 -0.736 . . . . 0.0 112.917 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -26.84 68.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.824 1.25 . . . . 0.0 112.957 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -76.07 -43.21 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.987 -1.071 . . . . 0.0 111.637 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -58.44 -31.56 67.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 0.0 113.346 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.53 -15.85 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 172.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.4 m-85 -98.71 -11.98 21.44 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.169 1.387 . . . . 0.0 113.694 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.78 116.84 4.73 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.291 0.951 . . . . 0.0 110.631 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -80.14 -18.54 49.49 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.091 1.357 . . . . 0.0 114.014 -169.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -122.46 -15.15 7.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.169 1.387 . . . . 0.0 114.349 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.7 20.0 74.73 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.906 1.241 . . . . 0.0 113.655 -171.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -99.3 3.79 46.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.775 1.63 . . . . 0.0 114.83 -170.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.64 26.22 47.22 Favored Glycine 0 CA--C 1.535 1.308 0 O-C-N 121.032 -1.042 . . . . 0.0 113.976 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.19 168.61 23.49 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.045 1.738 . . . . 0.0 109.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -127.67 138.02 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.917 1.287 . . . . 0.0 109.208 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -66.77 140.32 57.84 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.898 -1.126 . . . . 0.0 110.734 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.81 87.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.902 -1.124 . . . . 0.0 112.817 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.54 70.81 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.694 0.797 . . . . 0.0 112.91 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -75.24 -42.71 54.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.878 0.871 . . . . 0.0 111.872 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.8 -40.64 83.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.618 0.645 . . . . 0.0 110.461 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -59.62 -40.39 87.41 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.036 0.835 . . . . 0.0 112.081 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -57.46 -62.62 1.65 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.967 0.803 . . . . 0.0 110.622 172.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.683 HG23 HD12 ' A' ' 112' ' ' LEU . 14.5 p -65.61 -35.33 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.085 0.857 . . . . 0.0 112.884 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mmt -69.17 -14.68 63.12 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.2 p -118.5 -3.23 10.93 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.13 -44.35 6.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.109 1.763 . . . . 0.0 112.223 172.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.683 HD12 HG23 ' A' ' 108' ' ' VAL . 18.1 mt -122.23 140.12 52.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 112.048 -167.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.33 -146.73 32.06 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 114.636 0.614 . . . . 0.0 114.636 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.97 23.2 0.14 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -170.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 24.91 100.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.424 3.49 . . . . 0.0 115.159 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.43 144.27 47.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.659 0.784 . . . . 0.0 111.288 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.78 160.65 27.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.739 0.816 . . . . 0.0 110.072 171.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -56.13 -45.13 79.67 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.757 -1.214 . . . . 0.0 113.553 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -72.61 -25.68 61.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.145 -0.972 . . . . 0.0 112.786 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.08 -42.03 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.734 1.614 . . . . 0.0 111.863 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.98 -34.47 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.653 0.781 . . . . 0.0 110.869 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -65.12 -42.77 93.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.375 0.67 . . . . 0.0 111.592 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -56.07 -42.84 77.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.462 0.705 . . . . 0.0 111.227 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.05 -50.38 71.12 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.025 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.2 mm -61.13 -34.04 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 120.503 1.501 . . . . 0.0 111.608 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -57.45 -34.68 69.24 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.425 1.466 . . . . 0.0 113.485 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.11 -19.76 12.93 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.514 1.526 . . . . 0.0 113.912 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -82.8 -33.71 27.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.885 . . . . 0.0 112.926 173.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.31 136.81 48.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.627 1.171 . . . . 0.0 112.84 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.5 pt -64.58 -31.22 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.858 1.263 . . . . 0.0 114.125 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -155.89 4.06 0.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.91 22.37 63.88 Favored Glycine 0 CA--C 1.54 1.625 0 O-C-N 120.888 -1.132 . . . . 0.0 112.486 -168.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.84 11.74 37.83 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.081 1.752 . . . . 0.0 113.471 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.72 20.24 71.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.674 1.607 . . . . 0.0 114.481 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.93 100.68 6.71 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.257 1.423 . . . . 0.0 110.319 -177.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.632 HG13 ' HB1' ' A' ' 128' ' ' ALA . 20.1 t -78.04 124.4 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.323 0.649 . . . . 0.0 110.603 173.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -93.33 98.27 11.14 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.173 0.987 . . . . 0.0 110.496 169.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -68.71 -26.27 65.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.491 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.04 -30.22 64.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.88 1.218 . . . . 0.0 112.066 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -75.11 -42.18 56.99 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 167.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.25 -44.37 95.35 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.605 1.162 . . . . 0.0 113.467 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.08 -47.93 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.863 0.865 . . . . 0.0 111.271 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -63.49 -34.65 78.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.488 0.715 . . . . 0.0 112.396 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.8 ttp -68.76 -45.69 70.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.423 0.689 . . . . 0.0 112.446 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.98 -40.22 94.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.066 0.848 . . . . 0.0 112.344 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 64.2 p -80.44 -3.7 50.85 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.17 144.67 53.24 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.141 1.376 . . . . 0.0 113.124 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.5 pttm . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.602 1.961 . . . . 0.0 112.038 -175.809 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 CA-C-O 118.758 -1.023 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -65.89 147.5 85.13 Favored 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 123.474 2.783 . . . . 0.0 112.681 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 74.24 18.87 79.87 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.183 0.897 . . . . 0.0 114.719 -176.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 9.6 p 57.58 -177.34 0.06 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.504 2.322 . . . . 0.0 114.781 -172.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 8.2 1.79 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -32.3 47.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.734 1.213 . . . . 0.0 113.899 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.99 -35.81 64.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.932 1.293 . . . . 0.0 112.916 172.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -90.7 -40.93 11.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.302 1.441 . . . . 0.0 112.985 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.97 -46.85 75.11 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.002 1.321 . . . . 0.0 112.284 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.488 ' HA ' HD13 ' A' ' 112' ' ' LEU . 93.2 mt-10 -71.14 -18.88 62.49 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -175.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.6 m -103.92 -31.42 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.713 1.205 . . . . 0.0 111.907 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.1 m -57.01 -39.88 75.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.341 1.457 . . . . 0.0 111.747 172.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.74 77.82 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 110.146 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 98.4 mt -63.78 -39.05 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 120.846 -1.159 . . . . 0.0 112.076 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.3 mt -58.74 -42.02 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.204 1.001 . . . . 0.0 110.848 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.83 -39.68 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.191 0.996 . . . . 0.0 111.324 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -58.37 -46.34 86.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.747 1.158 . . . . 0.0 111.442 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -59.15 -53.33 59.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.105 1.362 . . . . 0.0 111.212 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.61 74.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.589 0.755 . . . . 0.0 112.782 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.8 t80 -70.88 -49.42 46.2 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.841 -0.537 . . . . 0.0 112.257 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -62.65 -33.61 75.39 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.537 1.062 . . . . 0.0 111.939 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -58.54 -45.81 88.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.002 0.921 . . . . 0.0 110.783 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -70.88 -31.44 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.266 1.426 . . . . 0.0 114.519 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.62 -32.12 58.36 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.817 1.19 . . . . 0.0 112.207 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.85 -31.88 72.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.069 0.948 . . . . 0.0 112.867 173.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 86.8 mttt -78.33 -18.47 55.14 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.486 1.914 . . . . 0.0 113.35 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.97 -28.92 69.35 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.017 0.927 . . . . 0.0 112.479 171.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.37 111.34 6.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.873 1.269 . . . . 0.0 110.144 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 4.0 t 51.94 53.09 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.656 1.582 . . . . 0.0 111.383 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.31 141.13 55.21 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.156 1.382 . . . . 0.0 112.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.353 1.861 . . . . 0.0 111.347 -179.007 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.489 0.185 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -80.55 -21.94 41.29 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -67.31 135.09 52.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.87 142.09 30.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.769 0.427 . . . . 0.0 111.783 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 p -71.08 161.78 30.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.56 0.744 . . . . 0.0 111.435 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.85 -34.46 71.6 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.982 -1.074 . . . . 0.0 112.238 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.68 -43.63 75.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.149 0.98 . . . . 0.0 112.246 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -63.73 -44.62 93.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.342 0.657 . . . . 0.0 111.292 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.73 -42.42 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.319 0.648 . . . . 0.0 110.561 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.63 87.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.198 0.908 . . . . 0.0 112.953 176.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.16 -41.17 86.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 112.024 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -68.53 -33.54 74.3 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.192 -0.942 . . . . 0.0 112.006 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -56.93 -53.05 62.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.524 1.529 . . . . 0.0 110.996 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.44 -26.74 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -43.01 64.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.881 0.872 . . . . 0.0 112.729 169.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.77 -48.22 40.14 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.345 -0.847 . . . . 0.0 112.587 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -63.35 -14.41 49.73 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.21 -20.96 61.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.802 1.241 . . . . 0.0 113.857 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' HG12 ' A' ' 35' ' ' VAL . 38.1 m-85 -123.75 -4.64 8.13 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 -177.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -68.35 116.94 9.5 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.436 -0.79 . . . . 0.0 109.683 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -95.63 -9.99 30.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.53 1.532 . . . . 0.0 114.984 -175.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.59 -20.54 11.67 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.865 1.266 . . . . 0.0 113.539 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 9.25 86.97 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.409 1.004 . . . . 0.0 113.169 -169.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -83.44 -2.63 56.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.796 1.638 . . . . 0.0 113.589 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 34.3 21.9 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.726 1.155 . . . . 0.0 113.973 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -139.49 155.95 47.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.529 1.164 . . . . 0.0 113.491 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.9 pt -131.32 169.89 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 127.008 2.123 . . . . 0.0 110.734 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 p -81.98 158.38 23.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 122.274 1.035 . . . . 0.0 112.667 168.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.422 ' HB ' HD13 ' A' ' 52' ' ' ILE . 25.2 p -61.38 -26.77 68.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.235 1.014 . . . . 0.0 112.589 171.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -68.7 -39.73 80.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 112.388 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.44 -18.77 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.6 -59.21 3.15 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.584 1.154 . . . . 0.0 111.629 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.25 -25.59 69.88 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 122.071 -0.393 . . . . 0.0 113.515 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.43 -39.45 71.06 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.222 1.011 . . . . 0.0 111.349 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.615 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.328 2.0 m -72.85 -28.79 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 O-C-N 121.304 -0.873 . . . . 0.0 111.761 172.519 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.5 mtp -66.52 -39.74 88.79 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.768 -1.208 . . . . 0.0 111.826 168.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.95 -36.35 79.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.953 0.901 . . . . 0.0 112.274 173.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 t -62.22 -34.8 77.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.683 0.793 . . . . 0.0 112.18 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.9 27.93 0.52 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.534 1.934 . . . . 0.0 114.07 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.75 14.8 70.55 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 116.708 1.443 . . . . 0.0 116.708 168.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -139.0 129.64 26.0 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.11 1.455 . . . . 0.0 112.11 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -104.84 93.59 6.42 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.694 1.198 . . . . 0.0 110.227 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.03 157.34 62.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.635 2.89 . . . . 0.0 113.02 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -73.71 151.61 40.66 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.732 1.213 . . . . 0.0 110.877 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -64.49 -36.16 83.28 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.991 -1.693 . . . . 0.0 113.37 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.66 72.1 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.705 0.802 . . . . 0.0 112.679 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -66.12 -45.2 81.95 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.577 1.151 . . . . 0.0 110.984 173.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.74 -45.21 92.92 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.611 0.764 . . . . 0.0 111.758 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.66 -41.11 89.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.656 0.662 . . . . 0.0 112.158 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.5 -45.02 80.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.497 0.719 . . . . 0.0 112.234 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtm -65.4 -32.43 74.05 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 112.783 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD13 ' HB ' ' A' ' 29' ' ' THR . 58.7 mt -73.28 -36.06 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -61.0 -30.97 70.6 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.814 1.643 . . . . 0.0 112.676 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.62 -17.39 61.17 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 172.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.93 -49.86 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.33 1.452 . . . . 0.0 113.488 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -102.47 49.07 0.85 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.647 1.979 . . . . 0.0 112.133 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -22.37 65.27 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.921 -1.112 . . . . 0.0 113.09 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.84 -14.97 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.784 1.233 . . . . 0.0 113.719 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.52 67.31 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.915 1.245 . . . . 0.0 115.125 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -77.0 -17.7 58.68 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.609 1.205 . . . . 0.0 113.789 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.89 19.29 73.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.386 1.469 . . . . 0.0 114.561 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -136.05 160.38 38.8 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.947 1.299 . . . . 0.0 113.804 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.5 mt -141.11 137.45 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.218 2.207 . . . . 0.0 108.692 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.25 156.62 18.17 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.846 0.748 . . . . 0.0 111.483 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -47.24 -54.84 18.53 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.05 -22.77 30.31 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.81 1.673 . . . . 0.0 113.302 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.69 -34.15 62.58 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.579 -0.701 . . . . 0.0 111.711 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -63.22 -42.19 99.23 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.446 -0.784 . . . . 0.0 111.88 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.35 -19.76 64.92 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -35.83 80.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.056 0.843 . . . . 0.0 112.947 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ptp -84.01 -33.25 24.58 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.639 -0.663 . . . . 0.0 111.853 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.6 mmm -62.45 -35.67 80.03 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.674 -0.641 . . . . 0.0 111.309 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.3 64.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.038 0.935 . . . . 0.0 113.503 170.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -80.71 -38.32 29.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.025 1.33 . . . . 0.0 113.074 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -66.81 -35.79 80.88 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.655 1.182 . . . . 0.0 112.528 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.2 mmm -75.0 164.82 26.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.262 1.825 . . . . 0.0 113.614 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -147.85 155.66 41.87 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.069 1.748 . . . . 0.0 111.192 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.53 152.43 30.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.945 0.898 . . . . 0.0 112.33 170.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -63.31 140.73 58.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.442 1.097 . . . . 0.0 113.29 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 62.21 10.69 3.94 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.5 m 56.9 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.939 2.495 . . . . 0.0 115.839 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.81 -42.5 71.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -67.67 -36.25 80.35 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.592 0.757 . . . . 0.0 111.625 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -42.94 80.87 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.11 0.964 . . . . 0.0 111.067 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.46 -47.23 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.076 0.951 . . . . 0.0 110.604 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -58.06 -45.39 87.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.237 0.926 . . . . 0.0 111.847 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -65.09 -45.51 84.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.318 0.647 . . . . 0.0 112.243 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.39 89.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.78 1.232 . . . . 0.0 112.464 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -66.05 -42.45 89.52 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.204 -0.935 . . . . 0.0 112.281 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.5 -21.75 66.76 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.286 -0.884 . . . . 0.0 113.307 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -68.74 -23.51 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.558 1.543 . . . . 0.0 112.519 168.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -97.47 -24.97 15.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.176 1.39 . . . . 0.0 113.589 174.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -58.98 117.6 4.85 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.232 1.013 . . . . 0.0 109.9 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -71.57 -16.74 62.32 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -169.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -143.25 2.17 1.27 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.11 23.03 78.5 Favored Glycine 0 CA--C 1.535 1.312 0 O-C-N 120.737 -1.227 . . . . 0.0 113.866 -175.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.34 -6.69 51.19 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.404 1.481 . . . . 0.0 113.895 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.53 53.27 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.624 1.107 . . . . 0.0 113.135 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.46 164.06 38.31 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.844 1.257 . . . . 0.0 111.559 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.66 139.11 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.99 1.716 . . . . 0.0 108.781 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -66.99 139.66 57.69 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.586 -1.321 . . . . 0.0 111.303 172.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.92 82.33 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.179 -0.95 . . . . 0.0 112.591 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.34 72.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.625 0.77 . . . . 0.0 112.973 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -74.73 -42.29 58.57 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.403 -0.81 . . . . 0.0 111.881 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.29 -40.21 86.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.089 0.859 . . . . 0.0 110.82 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.48 -38.67 90.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.81 0.844 . . . . 0.0 112.234 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -57.28 -63.48 1.21 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.026 0.531 . . . . 0.0 110.167 171.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.734 HG23 HD12 ' A' ' 112' ' ' LEU . 13.7 p -64.36 -37.51 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.867 0.758 . . . . 0.0 112.7 -172.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.4 mmt -68.36 -16.69 64.02 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 p -113.87 5.27 16.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 170.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -109.63 -39.56 5.1 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.924 1.29 . . . . 0.0 113.122 174.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.734 HD12 HG23 ' A' ' 108' ' ' VAL . 34.6 mt -125.66 139.45 53.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 111.224 -168.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.85 -150.83 38.31 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-O 121.962 0.757 . . . . 0.0 114.41 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.17 16.19 0.26 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -168.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.04 107.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 129.606 3.162 . . . . 0.0 114.815 -176.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.56 136.9 56.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.06 -1.025 . . . . 0.0 109.194 168.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -64.82 161.93 17.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.727 1.211 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.89 -44.38 29.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.457 1.503 . . . . 0.0 114.499 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.61 -29.66 27.56 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.139 0.976 . . . . 0.0 113.024 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.08 -40.82 67.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.997 1.719 . . . . 0.0 112.387 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.32 -30.67 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.572 -0.705 . . . . 0.0 111.072 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.19 -37.63 63.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.15 0.98 . . . . 0.0 112.038 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -56.82 -40.89 76.84 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.104 1.362 . . . . 0.0 110.075 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -59.02 -55.98 28.12 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.985 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.65 -40.06 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 120.967 1.712 . . . . 0.0 111.007 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -62.23 -14.2 35.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.6 -13.49 7.51 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -83.79 -25.31 30.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.866 2.466 . . . . 0.0 113.34 170.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -69.11 147.09 51.94 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -170.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.7 mt -81.13 -49.37 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 125.913 1.685 . . . . 0.0 108.866 168.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -156.06 161.12 40.46 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.865 2.066 . . . . 0.0 110.521 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.04 -8.45 8.46 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.578 1.561 . . . . 0.0 115.83 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.9 -8.28 42.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.472 1.509 . . . . 0.0 113.736 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.68 33.23 5.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 116.324 1.289 . . . . 0.0 116.324 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -108.23 140.82 40.9 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.557 1.178 . . . . 0.0 111.108 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.463 HG13 ' HB1' ' A' ' 128' ' ' ALA . 3.3 t -114.31 131.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.456 1.902 . . . . 0.0 109.404 171.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -100.11 93.57 5.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 123.064 1.411 . . . . 0.0 112.69 171.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -60.19 -27.95 67.57 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.345 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.77 -24.87 66.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.198 0.908 . . . . 0.0 113.094 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -90.59 -36.88 14.18 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.499 -0.75 . . . . 0.0 111.387 167.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.59 -42.8 93.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.193 0.997 . . . . 0.0 112.784 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.86 -50.69 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.367 1.067 . . . . 0.0 111.831 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -64.18 -37.18 86.54 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.836 0.744 . . . . 0.0 111.793 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.38 -44.69 90.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.127 0.571 . . . . 0.0 112.11 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.0 mtm -65.99 -41.3 91.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.544 0.611 . . . . 0.0 112.566 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.8 p -77.42 -22.99 50.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.52 169.7 5.8 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.622 1.169 . . . . 0.0 113.838 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.279 1.832 . . . . 0.0 111.062 172.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 119.491 -0.616 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -55.57 144.68 73.45 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 124.081 3.187 . . . . 0.0 114.556 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 77.34 -16.88 5.57 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 125.426 1.489 . . . . 0.0 115.62 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m 50.15 35.91 11.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.625 1.97 . . . . 0.0 115.733 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -108.89 -14.06 14.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -168.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -59.77 -34.77 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.034 0.934 . . . . 0.0 113.509 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.83 -43.02 99.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.548 1.139 . . . . 0.0 112.495 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -75.18 -40.68 59.17 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.335 0.654 . . . . 0.0 111.755 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.41 -43.88 75.69 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.922 1.289 . . . . 0.0 112.054 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 46.8 tt0 -66.84 -24.87 66.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.5 m -101.15 -30.1 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.529 1.132 . . . . 0.0 112.307 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.7 m -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.945 1.298 . . . . 0.0 110.691 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.58 84.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.539 0.736 . . . . 0.0 110.469 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -39.39 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.858 -1.151 . . . . 0.0 112.003 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -58.23 -43.93 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.568 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -72.99 -41.06 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.454 1.102 . . . . 0.0 111.406 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -55.52 -46.67 76.99 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.718 1.145 . . . . 0.0 111.215 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -68.63 -46.99 67.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.687 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.15 78.01 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.57 -49.99 55.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.814 -0.554 . . . . 0.0 112.066 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.92 -26.54 68.64 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.46 -0.775 . . . . 0.0 112.928 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -63.88 -46.47 84.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.854 1.262 . . . . 0.0 111.103 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.8 -33.16 75.0 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.794 1.238 . . . . 0.0 113.53 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 35.7 mt -55.65 -26.38 44.16 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.078 -1.014 . . . . 0.0 113.167 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.18 -28.49 69.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.212 0.915 . . . . 0.0 113.002 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -74.12 -37.15 64.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.745 1.218 . . . . 0.0 112.101 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -80.94 -26.51 36.62 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 54.4 tttm -74.64 65.21 1.29 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.903 1.681 . . . . 0.0 112.468 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.5 m -76.71 37.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.928 1.691 . . . . 0.0 112.965 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -155.34 162.95 40.71 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.097 1.759 . . . . 0.0 113.004 -172.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.245 1.418 . . . . 0.0 111.198 169.172 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.572 0.225 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.78 74.84 2.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.804 1.242 . . . . 0.0 111.278 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -137.01 146.14 44.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.634 1.574 . . . . 0.0 111.917 -172.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.43 147.44 26.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.541 1.136 . . . . 0.0 111.757 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.0 p -82.98 164.52 20.34 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.285 1.034 . . . . 0.0 111.271 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -57.64 -32.92 67.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.287 -0.883 . . . . 0.0 113.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.78 -50.7 72.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.052 1.341 . . . . 0.0 111.869 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.71 -44.06 87.25 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.205 1.002 . . . . 0.0 110.895 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.82 -43.74 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.655 0.782 . . . . 0.0 110.884 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.56 76.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.616 1.098 . . . . 0.0 112.974 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.3 -43.31 91.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.907 -1.121 . . . . 0.0 111.516 172.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -66.58 -33.82 76.52 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 0.0 112.516 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -59.2 -48.81 80.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.448 1.499 . . . . 0.0 110.943 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -47.88 78.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.784 0.834 . . . . 0.0 112.049 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.24 77.94 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.836 1.051 . . . . 0.0 113.836 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.45 -51.13 13.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.505 1.048 . . . . 0.0 112.321 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.8 p -63.39 -16.93 61.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.39 -22.92 21.87 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.194 1.398 . . . . 0.0 114.25 170.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 35' ' ' VAL . 40.9 m-85 -123.99 2.0 8.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.305 1.442 . . . . 0.0 113.479 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -71.1 106.41 3.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.517 0.675 . . . . 0.0 110.366 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -81.37 -11.29 59.34 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -115.22 -21.76 9.77 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.21 7.54 88.44 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.649 1.119 . . . . 0.0 114.034 -171.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -83.71 -2.13 55.57 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.473 1.509 . . . . 0.0 114.189 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.13 33.69 19.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.454 1.026 . . . . 0.0 113.61 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -140.33 158.07 44.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.56 1.144 . . . . 0.0 113.693 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.33 169.7 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 127.421 2.289 . . . . 0.0 110.004 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -87.12 162.78 17.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.984 -1.073 . . . . 0.0 113.138 169.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -58.58 -24.76 61.57 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.544 1.138 . . . . 0.0 112.618 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.47 -38.65 59.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.693 1.197 . . . . 0.0 112.789 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.79 -23.26 58.47 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.72 -61.78 1.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.107 1.363 . . . . 0.0 112.428 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -22.43 70.22 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 121.938 -0.476 . . . . 0.0 113.768 -177.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -71.68 -41.16 69.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.205 1.002 . . . . 0.0 110.646 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.31 1.4 m -71.64 -30.19 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.409 -0.807 . . . . 0.0 111.937 174.335 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.81 -39.47 93.63 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.005 -1.059 . . . . 0.0 111.826 168.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.31 -32.38 73.75 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.939 0.896 . . . . 0.0 113.225 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -62.89 -30.14 71.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.366 0.666 . . . . 0.0 112.373 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.67 17.62 3.84 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.118 1.767 . . . . 0.0 113.846 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 2.86 59.64 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.78 1.181 . . . . 0.0 115.54 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -81.02 176.39 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.254 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -159.71 79.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 121.13 -0.981 . . . . 0.0 109.952 166.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -66.93 152.25 80.71 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.857 3.038 . . . . 0.0 112.249 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -74.14 164.32 26.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.687 0.795 . . . . 0.0 111.886 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.98 -38.18 78.53 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.324 -0.86 . . . . 0.0 111.82 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.56 80.52 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.092 0.957 . . . . 0.0 112.687 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.81 -48.05 82.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.787 0.835 . . . . 0.0 111.624 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.28 -46.12 90.95 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.929 -0.482 . . . . 0.0 111.577 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.3 -41.26 93.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.636 0.653 . . . . 0.0 112.263 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.61 -41.14 93.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.811 0.732 . . . . 0.0 112.59 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -68.41 -40.65 81.19 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.477 -0.765 . . . . 0.0 112.018 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.88 -32.51 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.424 1.09 . . . . 0.0 111.722 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.2 -34.14 70.05 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.389 1.45 . . . . 0.0 113.479 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -80.11 -40.99 26.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.602 0.761 . . . . 0.0 112.814 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.67 -47.76 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.375 1.07 . . . . 0.0 112.678 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.87 31.25 1.09 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.011 2.125 . . . . 0.0 112.868 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.91 68.06 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.773 -1.204 . . . . 0.0 113.455 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.1 -5.52 59.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.699 1.199 . . . . 0.0 113.792 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.92 79.44 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 120.858 -1.152 . . . . 0.0 115.218 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.14 -18.17 59.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.215 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.14 11.41 79.2 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.629 1.585 . . . . 0.0 115.656 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.9 p -133.57 160.31 37.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.197 1.399 . . . . 0.0 113.306 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.2 mt -138.64 133.63 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 126.695 1.998 . . . . 0.0 108.077 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.09 157.31 19.43 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.628 0.649 . . . . 0.0 111.317 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -46.84 -54.31 20.64 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.67 -21.11 29.72 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.808 1.672 . . . . 0.0 113.453 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -74.8 -38.19 62.17 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.443 -0.785 . . . . 0.0 111.534 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -59.22 -41.14 87.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.434 -0.791 . . . . 0.0 111.684 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.81 -18.69 64.37 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -39.47 90.25 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.315 0.961 . . . . 0.0 112.582 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.19 -31.87 24.87 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.62 -0.675 . . . . 0.0 112.151 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.4 mmm -64.5 -37.43 87.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.961 0.504 . . . . 0.0 111.17 177.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.07 72.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.845 0.748 . . . . 0.0 113.006 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -74.35 -49.64 21.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.548 1.139 . . . . 0.0 111.661 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -58.56 -38.18 77.3 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.889 1.276 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mmm -72.84 -11.75 60.72 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.465 1.506 . . . . 0.0 114.415 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -85.57 17.4 3.27 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -78.78 2.69 18.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.997 1.319 . . . . 0.0 113.373 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -126.87 174.99 8.38 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.701 2.0 . . . . 0.0 111.611 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.13 149.81 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.846 2.059 . . . . 0.0 115.11 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t -151.17 125.5 9.41 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.773 2.029 . . . . 0.0 108.627 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.65 -51.5 69.68 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -72.3 -27.3 62.37 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.41 -0.806 . . . . 0.0 112.763 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.77 -48.65 71.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.278 0.631 . . . . 0.0 110.794 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.415 HG22 HG22 ' A' ' 142' ' ' VAL . 68.7 mt -59.83 -47.22 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.149 1.38 . . . . 0.0 110.093 175.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.254 0.622 . . . . 0.0 112.67 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -71.2 -39.39 71.8 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.687 0.676 . . . . 0.0 112.261 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.62 76.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.957 0.903 . . . . 0.0 112.419 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.65 -43.45 76.21 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 120.938 -1.101 . . . . 0.0 112.548 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -59.51 -26.63 65.47 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.724 0.81 . . . . 0.0 113.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.5 t -64.81 -25.79 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 126.067 1.747 . . . . 0.0 113.232 170.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.6 m-85 -97.22 -18.82 19.01 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.932 1.293 . . . . 0.0 113.864 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.46 116.32 3.88 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.398 1.079 . . . . 0.0 110.72 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.9 -22.47 59.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.799 1.239 . . . . 0.0 113.676 -171.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -124.03 -14.62 7.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.244 1.418 . . . . 0.0 114.065 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.15 19.71 79.59 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.607 1.099 . . . . 0.0 112.975 -169.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.97 9.3 39.92 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.501 1.521 . . . . 0.0 113.815 -170.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.19 65.52 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.839 -1.163 . . . . 0.0 114.113 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.26 165.55 30.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.003 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 mt -130.48 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.645 1.578 . . . . 0.0 108.831 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 m -65.35 142.01 58.37 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.578 -1.326 . . . . 0.0 111.113 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.64 89.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.02 -1.05 . . . . 0.0 112.405 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.91 73.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.509 0.723 . . . . 0.0 112.938 173.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -71.72 -46.9 57.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.817 0.847 . . . . 0.0 111.645 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.43 -41.34 84.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.959 0.8 . . . . 0.0 111.11 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -59.96 -40.72 90.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.895 0.878 . . . . 0.0 111.942 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -58.41 -62.6 1.72 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.122 0.569 . . . . 0.0 110.581 171.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.713 HG23 HD12 ' A' ' 112' ' ' LEU . 13.9 p -64.85 -35.21 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 0.0 112.69 -171.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.57 -15.62 63.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.4 p -120.29 4.15 10.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -109.45 -38.31 5.5 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 126.078 1.751 . . . . 0.0 112.675 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.713 HD12 HG23 ' A' ' 108' ' ' VAL . 23.9 mt -126.3 145.53 50.38 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.841 1.256 . . . . 0.0 110.893 -169.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.98 -148.55 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 114.4 0.52 . . . . 0.0 114.4 -173.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.34 -9.26 58.27 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -172.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 61.5 134.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 129.229 3.012 . . . . 0.0 113.484 -172.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.17 146.73 27.69 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.892 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.74 161.6 23.2 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.053 0.941 . . . . 0.0 110.588 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -49.47 -47.52 48.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.497 1.519 . . . . 0.0 114.187 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.87 -24.83 35.52 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.656 0.782 . . . . 0.0 112.923 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.28 -41.69 73.07 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.242 1.417 . . . . 0.0 111.949 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.84 -33.22 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.399 0.68 . . . . 0.0 111.629 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -71.5 -26.73 62.8 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.291 -0.881 . . . . 0.0 112.093 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -66.96 -33.32 75.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.223 1.009 . . . . 0.0 111.663 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.1 ttm -66.7 -53.18 36.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.298 0.639 . . . . 0.0 110.579 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.09 -35.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 119.15 0.886 . . . . 0.0 112.03 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -58.29 -31.44 67.49 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -112.06 -24.42 9.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.834 1.254 . . . . 0.0 113.446 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.447 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -70.89 -37.71 73.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.373 1.869 . . . . 0.0 111.946 171.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -90.39 124.77 35.21 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.941 -1.099 . . . . 0.0 110.81 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -76.35 -30.86 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.904 1.282 . . . . 0.0 112.024 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -112.23 -23.84 10.17 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.151 1.381 . . . . 0.0 114.38 -171.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.76 12.6 74.4 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.149 1.357 . . . . 0.0 114.444 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -85.33 16.87 3.39 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.851 1.66 . . . . 0.0 114.039 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.77 65.93 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.572 1.558 . . . . 0.0 113.763 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -128.25 92.3 3.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.998 1.719 . . . . 0.0 109.855 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.447 HG13 ' HB1' ' A' ' 128' ' ' ALA . 9.6 t -66.07 127.07 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.614 -0.679 . . . . 0.0 109.883 172.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.67 97.14 9.12 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.979 0.895 . . . . 0.0 110.239 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 142' ' ' VAL . 4.9 p90 -66.95 -29.37 69.22 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.241 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.06 -42.87 91.34 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.582 1.537 . . . . 0.0 112.778 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -75.23 -40.07 59.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.434 0.694 . . . . 0.0 112.372 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 4.1 t80 -61.93 -39.95 93.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 138' ' ' TYR . 96.8 t -50.65 -59.54 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.721 1.208 . . . . 0.0 109.283 172.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -71.1 -29.17 64.95 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.955 -166.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.6 ttp -65.97 -48.85 69.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.025 1.33 . . . . 0.0 111.832 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.4 ttp -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.073 1.349 . . . . 0.0 112.491 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p -92.95 -1.46 56.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 174.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.51 142.93 58.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.72 1.145 . . . . 0.0 112.784 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.5 tptp . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.121 0.968 . . . . 0.0 111.985 173.404 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -69.24 158.1 58.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.972 3.115 . . . . 0.0 112.489 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -64.32 -21.54 66.49 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.121 0.867 . . . . 0.0 114.992 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 37.0 t -158.19 159.49 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.303 1.841 . . . . 0.0 110.671 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 28.1 tptp -52.48 -47.71 66.36 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 169.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -67.18 -33.27 75.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.356 1.062 . . . . 0.0 113.567 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.58 -33.74 70.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.779 0.832 . . . . 0.0 112.031 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -90.32 -41.53 11.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 0.0 113.619 172.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -56.99 -45.94 82.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.853 1.261 . . . . 0.0 112.667 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.499 ' HG2' HD22 ' A' ' 112' ' ' LEU . 93.8 mt-10 -71.23 -17.48 62.5 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.4 m -105.46 -30.62 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.787 1.235 . . . . 0.0 112.272 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.3 m -56.98 -40.1 75.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.713 1.205 . . . . 0.0 111.219 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.0 78.71 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.586 0.755 . . . . 0.0 110.675 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.48 -42.37 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.26 -0.9 . . . . 0.0 111.457 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.32 -42.79 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.077 0.951 . . . . 0.0 111.163 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.89 -37.67 73.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.144 0.978 . . . . 0.0 110.48 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.01 -43.72 95.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.558 1.072 . . . . 0.0 112.306 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -59.59 -49.12 78.98 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.69 0.796 . . . . 0.0 111.042 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.018 0.927 . . . . 0.0 113.229 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.18 -49.26 72.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.191 -0.318 . . . . 0.0 111.792 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.77 -29.66 70.2 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.399 -0.813 . . . . 0.0 112.459 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -58.96 -44.74 91.51 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.774 1.17 . . . . 0.0 110.838 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -66.49 -41.86 88.29 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.202 0.601 . . . . 0.0 112.53 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.35 -38.3 73.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.402 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 54.5 tp -68.66 -47.95 65.21 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.228 1.011 . . . . 0.0 111.465 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -59.4 -31.82 69.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.131 1.372 . . . . 0.0 113.925 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -81.51 -0.64 42.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -129.0 -40.8 1.48 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 64.3 t -87.51 155.24 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.577 1.551 . . . . 0.0 109.867 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 115.71 1.54 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.253 1.421 . . . . 0.0 110.859 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? . . . . . 0 C--O 1.25 1.1 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.363 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -72.22 -11.05 60.55 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -65.13 133.33 51.35 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.186 0.994 . . . . 0.0 111.57 169.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.62 121.72 42.54 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.207 0.603 . . . . 0.0 109.488 167.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -108.68 174.29 5.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.977 1.711 . . . . 0.0 108.074 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -54.81 -28.44 49.34 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.459 -1.401 . . . . 0.0 114.054 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.4 -49.13 70.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.148 0.979 . . . . 0.0 112.553 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -64.6 -43.97 92.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.97 -42.94 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.816 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.16 90.04 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.229 0.922 . . . . 0.0 112.625 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.19 -46.03 82.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.213 -0.93 . . . . 0.0 111.893 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.0 -34.62 78.52 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.314 0.646 . . . . 0.0 112.498 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -56.7 -51.78 67.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.449 1.5 . . . . 0.0 111.161 175.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.09 -45.49 88.45 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.821 0.848 . . . . 0.0 112.04 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.72 74.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -74.82 -49.95 18.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.538 1.063 . . . . 0.0 112.422 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -62.9 -17.47 61.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.76 0.824 . . . . 0.0 113.047 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.64 -20.73 35.38 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.597 1.559 . . . . 0.0 114.257 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' HG12 ' A' ' 35' ' ' VAL . 20.5 m-85 -132.22 11.34 4.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.249 1.42 . . . . 0.0 113.166 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -65.53 123.58 20.03 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.487 -0.758 . . . . 0.0 111.309 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -72.23 -25.87 61.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.166 1.386 . . . . 0.0 114.501 -169.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -124.31 -18.06 5.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.538 1.135 . . . . 0.0 113.956 -171.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.52 5.02 90.25 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 124.658 1.123 . . . . 0.0 112.847 -168.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -101.67 8.77 41.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.73 2.012 . . . . 0.0 113.677 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.14 34.83 7.36 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.672 -1.071 . . . . 0.0 115.122 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -137.76 152.58 49.33 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.3 1.55 . . . . 0.0 113.455 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 pt -125.83 169.21 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 126.514 1.926 . . . . 0.0 110.279 172.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -83.94 159.37 21.29 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.138 0.971 . . . . 0.0 112.23 169.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' HD13 ' A' ' 52' ' ' ILE . 34.1 p -60.65 -26.83 67.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.091 0.956 . . . . 0.0 112.361 169.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -71.46 -42.33 68.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 0.0 112.618 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -75.77 -14.53 60.32 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.36 -58.97 3.24 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.505 1.122 . . . . 0.0 111.804 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.69 -28.53 73.71 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.984 -0.448 . . . . 0.0 113.457 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -65.42 -38.41 89.85 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.126 0.963 . . . . 0.0 111.092 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.575 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.317 1.5 m -75.1 -35.07 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.314 172.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.0 mtp -58.91 -38.27 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.764 1.62 . . . . 0.0 112.163 170.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.9 -30.48 70.91 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.138 0.975 . . . . 0.0 112.822 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.9 t -67.07 -33.67 76.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.827 0.851 . . . . 0.0 112.502 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.28 5.5 8.43 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.086 0.954 . . . . 0.0 113.108 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 37.91 52.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 120.783 -1.198 . . . . 0.0 113.921 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -143.49 133.08 23.61 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.239 1.02 . . . . 0.0 111.127 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -114.95 87.85 15.92 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.624 1.17 . . . . 0.0 111.407 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -69.49 154.73 68.42 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.607 2.871 . . . . 0.0 112.513 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -82.82 166.45 18.98 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.634 -0.666 . . . . 0.0 112.542 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -62.41 -42.52 99.5 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.558 -1.339 . . . . 0.0 113.215 -175.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.71 -34.83 77.66 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.66 -0.65 . . . . 0.0 112.486 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -68.19 -42.42 79.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.01 -48.25 82.7 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.532 0.733 . . . . 0.0 111.339 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.49 -34.77 77.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.9 -37.85 89.01 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.052 0.842 . . . . 0.0 112.474 175.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -71.1 -41.36 70.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.352 -0.843 . . . . 0.0 111.699 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.42 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.7 mt -66.09 -27.24 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.856 0.862 . . . . 0.0 111.888 177.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -57.99 -34.86 70.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.085 1.312 . . . . 0.0 112.336 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -87.53 -40.44 14.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.952 0.901 . . . . 0.0 112.35 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -73.81 -38.16 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.128 1.371 . . . . 0.0 113.264 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -123.63 51.85 1.47 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.148 1.779 . . . . 0.0 112.423 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.8 63.17 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.251 -0.905 . . . . 0.0 113.34 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.05 -19.92 58.2 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.004 1.322 . . . . 0.0 113.835 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.71 30.11 70.84 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.376 0.989 . . . . 0.0 114.021 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -18.79 58.23 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.439 1.496 . . . . 0.0 113.202 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.13 79.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.946 1.736 . . . . 0.0 115.88 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.9 p -134.87 159.14 42.35 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.159 1.479 . . . . 0.0 114.029 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.0 mt -138.8 135.79 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.466 2.306 . . . . 0.0 108.461 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.36 157.4 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.929 0.786 . . . . 0.0 111.512 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -46.3 -56.21 11.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.523 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -68.93 -21.38 37.55 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.115 1.877 . . . . 0.0 113.587 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -74.05 -39.22 63.65 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.474 -0.766 . . . . 0.0 111.373 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.34 -39.18 89.61 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.396 -0.815 . . . . 0.0 112.233 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.22 -22.82 63.48 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -37.84 88.06 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.836 0.744 . . . . 0.0 112.629 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.91 -36.08 23.6 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.9 -0.5 . . . . 0.0 111.367 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.8 mmm -62.41 -28.0 69.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.252 0.933 . . . . 0.0 113.053 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.45 85.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.587 0.755 . . . . 0.0 112.408 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -80.98 -36.13 31.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.897 1.679 . . . . 0.0 113.566 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -86.14 -2.62 58.52 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.453 1.901 . . . . 0.0 114.44 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 mtm -60.41 141.43 56.34 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.364 0.984 . . . . 0.0 112.772 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -79.87 66.89 5.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.246 1.818 . . . . 0.0 112.42 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.09 -22.9 61.28 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.4 m -89.45 144.46 26.03 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.987 0.915 . . . . 0.0 110.394 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.82 151.21 8.8 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.631 1.172 . . . . 0.0 112.896 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.2 t -62.11 137.4 58.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.578 0.751 . . . . 0.0 112.813 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.88 -45.29 90.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.666 1.187 . . . . 0.0 112.164 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.76 -35.01 79.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.379 0.672 . . . . 0.0 112.049 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.36 -46.44 76.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.529 0.731 . . . . 0.0 111.451 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.6 mt -60.21 -46.27 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.96 0.904 . . . . 0.0 110.172 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -64.78 -38.19 90.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.953 0.901 . . . . 0.0 112.515 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.8 -43.84 71.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.236 1.015 . . . . 0.0 112.568 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.48 67.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.742 1.217 . . . . 0.0 113.241 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -76.78 -37.69 55.38 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.125 -0.984 . . . . 0.0 111.424 168.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.98 72.88 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.081 -1.012 . . . . 0.0 112.956 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.85 -11.4 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -105.57 -12.81 15.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.81 1.644 . . . . 0.0 113.778 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -56.69 127.24 30.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.718 1.207 . . . . 0.0 110.5 -175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -59.71 -39.82 85.88 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.748 1.619 . . . . 0.0 113.862 -167.473 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -154.9 6.69 0.26 Allowed 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.78 5.99 54.77 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.256 1.407 . . . . 0.0 115.132 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -75.6 -2.51 29.61 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.036 1.418 . . . . 0.0 114.796 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.16 28.56 40.47 Favored Glycine 0 N--CA 1.473 1.151 0 CA-C-N 119.607 1.094 . . . . 0.0 113.173 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.92 164.71 32.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -128.69 135.93 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.389 1.476 . . . . 0.0 108.877 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -68.18 147.04 52.82 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 120.583 -1.323 . . . . 0.0 112.112 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.92 -41.54 87.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.433 -0.792 . . . . 0.0 112.691 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.67 70.72 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.16 -48.22 45.06 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.96 0.904 . . . . 0.0 111.543 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.35 -35.73 76.19 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.662 0.664 . . . . 0.0 111.434 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -59.98 -42.75 94.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.614 1.097 . . . . 0.0 111.15 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.04 -59.51 5.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.882 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 m -58.37 -39.84 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 120.63 1.559 . . . . 0.0 111.984 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.25 -15.09 59.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -110.99 1.78 17.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -108.89 -27.62 9.61 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 176.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 mt -134.6 140.61 46.21 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.725 1.21 . . . . 0.0 110.696 -169.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.02 -146.0 26.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 114.83 0.692 . . . . 0.0 114.83 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.98 -17.59 63.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 60.55 119.6 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.792 2.837 . . . . 0.0 112.705 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.0 mt -78.14 147.8 34.41 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.433 -0.792 . . . . 0.0 110.953 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -68.2 161.09 27.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.472 1.109 . . . . 0.0 110.552 172.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -54.46 -43.89 72.09 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.21 -23.04 35.63 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.186 -0.946 . . . . 0.0 112.774 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -75.17 -40.84 59.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.367 1.467 . . . . 0.0 112.1 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.14 -33.82 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.27 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -69.91 -35.06 74.28 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.387 -0.821 . . . . 0.0 112.294 171.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.92 -33.6 73.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.919 0.782 . . . . 0.0 111.348 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -64.8 -55.4 19.87 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.594 172.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -56.91 -37.67 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.621 1.101 . . . . 0.0 111.487 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -55.73 -33.66 64.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.57 1.148 . . . . 0.0 114.046 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -110.39 -19.03 13.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.062 1.345 . . . . 0.0 114.431 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -82.11 -34.01 29.47 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.318 1.847 . . . . 0.0 113.012 175.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.46 120.32 13.73 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.634 1.173 . . . . 0.0 111.52 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.6 tp -79.93 -28.53 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 123.96 0.904 . . . . 0.0 113.297 -172.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -114.76 -20.22 10.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 114.349 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.47 5.65 88.35 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.476 1.036 . . . . 0.0 113.315 -168.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -100.0 9.47 42.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.472 1.909 . . . . 0.0 113.914 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.1 24.64 12.41 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.096 1.332 . . . . 0.0 115.101 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -125.41 103.18 7.77 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.0 1.4 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.573 HG13 ' HB1' ' A' ' 128' ' ' ALA . 27.0 t -71.46 123.33 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 110.427 171.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.66 99.97 12.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.136 0.969 . . . . 0.0 109.433 168.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.96 -24.82 63.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.911 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.47 -31.79 69.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.945 1.248 . . . . 0.0 112.174 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.78 -42.01 58.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.591 -0.693 . . . . 0.0 110.532 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.56 -40.33 92.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.294 1.038 . . . . 0.0 113.685 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.25 -43.27 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.179 -0.951 . . . . 0.0 111.599 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.986 0.914 . . . . 0.0 112.079 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.4 ttp -69.4 -48.49 60.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.675 0.79 . . . . 0.0 112.698 173.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.48 -38.9 92.9 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.436 -0.79 . . . . 0.0 112.3 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p -82.09 -1.93 50.26 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.22 160.28 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.296 0.953 . . . . 0.0 112.403 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp . . . . . 0 C--O 1.252 1.185 0 C-N-CA 125.093 1.357 . . . . 0.0 111.421 176.673 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 CA-C-O 119.78 -0.456 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -66.99 138.25 47.3 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.804 3.002 . . . . 0.0 112.082 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.41 96.02 Favored Glycine 0 CA--C 1.536 1.375 0 N-CA-C 115.036 0.775 . . . . 0.0 115.036 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 7.5 t -84.35 -165.49 1.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.065 1.346 . . . . 0.0 113.612 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -61.14 -8.65 3.68 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.545 2.738 . . . . 0.0 116.15 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -53.9 -30.46 46.25 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.818 1.647 . . . . 0.0 113.413 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 40.0 mttp -52.88 -49.64 65.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.921 1.689 . . . . 0.0 112.4 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -84.42 -38.43 20.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.75 1.22 . . . . 0.0 111.797 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.7 -45.66 74.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 112.247 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -67.39 -26.17 66.32 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.4 m -98.56 -32.58 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.694 1.198 . . . . 0.0 111.823 -175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -57.51 -40.1 77.96 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.167 1.387 . . . . 0.0 111.395 170.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.76 70.07 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.904 -0.497 . . . . 0.0 111.303 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.57 -39.14 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.007 -1.058 . . . . 0.0 111.74 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.97 -40.07 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.867 0.867 . . . . 0.0 110.959 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.6 mt -75.75 -40.89 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.434 1.094 . . . . 0.0 111.386 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.51 -48.77 76.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.621 1.168 . . . . 0.0 111.517 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -67.38 -42.65 83.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.595 1.158 . . . . 0.0 111.486 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.89 95.97 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.408 0.683 . . . . 0.0 112.441 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -66.17 -52.73 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.269 0.627 . . . . 0.0 112.219 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.885 0.874 . . . . 0.0 112.404 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -69.17 -46.5 67.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.941 0.791 . . . . 0.0 111.242 169.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.8 -32.87 73.19 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.88 -30.1 44.48 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.153 -0.967 . . . . 0.0 112.712 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.55 -48.09 50.89 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.607 0.763 . . . . 0.0 110.995 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.81 -25.84 61.16 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.094 1.758 . . . . 0.0 113.712 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.77 -29.28 64.71 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -121.45 -38.55 2.76 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.126 1.37 . . . . 0.0 113.934 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 62.4 t -140.13 126.78 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.861 1.665 . . . . 0.0 109.872 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -145.91 148.41 32.79 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.94 1.296 . . . . 0.0 111.119 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 C--O 1.247 0.957 0 C-N-CA 126.533 1.933 . . . . 0.0 110.79 -179.736 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.692 0.282 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -72.61 -11.59 60.71 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -49.15 140.68 9.17 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.352 1.861 . . . . 0.0 113.293 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.11 144.67 27.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 173.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -70.42 161.19 30.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.91 0.884 . . . . 0.0 111.279 171.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.35 -30.22 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.911 -1.118 . . . . 0.0 112.619 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.16 -44.77 64.85 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.125 0.97 . . . . 0.0 111.967 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -62.04 -44.22 97.16 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.457 0.703 . . . . 0.0 111.062 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.08 -45.3 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.011 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.96 78.31 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.881 1.219 . . . . 0.0 112.969 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.4 -44.88 89.87 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.965 -1.084 . . . . 0.0 111.653 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.0 -35.48 80.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.722 0.809 . . . . 0.0 112.403 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -57.16 -51.17 70.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.646 1.578 . . . . 0.0 110.714 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -63.42 -50.8 68.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.257 0.623 . . . . 0.0 111.849 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.3 75.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -72.82 -49.3 31.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.232 1.013 . . . . 0.0 111.551 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.3 t -59.89 -26.98 66.32 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.6 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.27 -21.08 21.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.227 1.411 . . . . 0.0 114.17 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD1' HG22 ' A' ' 35' ' ' VAL . 50.1 m-85 -121.2 5.21 10.29 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.935 1.694 . . . . 0.0 113.136 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -75.15 77.5 2.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.451 1.5 . . . . 0.0 110.739 174.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -62.06 -24.14 66.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.241 1.416 . . . . 0.0 114.791 -172.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -92.46 -13.8 29.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.836 1.254 . . . . 0.0 113.863 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.01 34.21 89.27 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.834 0.731 . . . . 0.0 112.973 -170.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -117.35 6.9 12.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.901 1.68 . . . . 0.0 114.147 -169.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 23.22 60.21 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.889 1.233 . . . . 0.0 114.538 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -142.31 160.93 39.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.846 1.258 . . . . 0.0 113.024 -174.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -135.15 171.76 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.617 1.967 . . . . 0.0 110.605 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -83.35 160.88 21.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 122.272 1.034 . . . . 0.0 112.773 169.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.7 p -62.83 -21.29 65.82 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.419 1.088 . . . . 0.0 113.538 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -83.84 -38.53 21.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.291 0.95 . . . . 0.0 112.91 171.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.42 -20.13 65.48 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.53 5.84 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.795 1.238 . . . . 0.0 111.786 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.03 -27.68 73.05 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.375 -0.828 . . . . 0.0 113.134 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -69.52 -39.84 77.28 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.233 1.013 . . . . 0.0 111.771 172.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG22 ' CD1' ' A' ' 19' ' ' PHE . 48.3 t -63.85 -41.9 94.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.076 0.95 . . . . 0.0 110.866 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.8 mtp -62.29 -42.72 99.59 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.276 -0.89 . . . . 0.0 112.022 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -62.89 -33.79 76.05 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.233 1.013 . . . . 0.0 112.565 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -63.72 -28.44 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.937 0.895 . . . . 0.0 112.754 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.34 8.84 22.63 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.039 1.735 . . . . 0.0 113.545 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.22 2.5 89.15 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.372 1.463 . . . . 0.0 115.48 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -99.66 118.11 35.48 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.048 1.339 . . . . 0.0 110.16 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -104.29 90.27 3.08 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.669 0.788 . . . . 0.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.07 160.19 48.11 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.049 3.166 . . . . 0.0 112.931 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -79.5 151.64 30.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.99 -40.23 97.12 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.14 -1.6 . . . . 0.0 112.947 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.25 72.23 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.805 0.842 . . . . 0.0 112.903 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -68.75 -42.63 77.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.542 1.137 . . . . 0.0 111.482 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.38 -49.71 76.26 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.664 0.786 . . . . 0.0 110.721 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.35 -39.93 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.775 0.83 . . . . 0.0 112.361 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.73 -42.47 95.18 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.971 0.909 . . . . 0.0 112.634 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.2 mtm -68.14 -40.77 82.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.4 -0.812 . . . . 0.0 112.101 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.25 -29.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.237 1.015 . . . . 0.0 111.985 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.9 -26.84 67.73 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.042 1.292 . . . . 0.0 113.251 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -90.95 -47.11 7.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.894 0.878 . . . . 0.0 112.321 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.79 -35.5 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.852 1.261 . . . . 0.0 113.144 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -115.85 46.83 1.46 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.251 1.82 . . . . 0.0 111.948 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -26.46 63.38 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -85.42 -5.12 59.32 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 114.326 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.91 39.4 59.27 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.423 1.011 . . . . 0.0 115.3 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.42 -21.85 55.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.992 1.317 . . . . 0.0 113.332 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.46 17.44 76.26 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.832 1.682 . . . . 0.0 113.818 -169.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -139.36 162.13 35.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.564 1.545 . . . . 0.0 113.092 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mt -140.57 136.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.78 2.032 . . . . 0.0 109.186 -173.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.98 155.62 18.98 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.474 0.709 . . . . 0.0 111.486 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.46 -51.62 19.8 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.66 -27.91 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.989 1.792 . . . . 0.0 113.804 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.07 -25.39 58.57 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.2 -0.938 . . . . 0.0 112.147 174.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -72.35 -47.03 52.75 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.441 -0.787 . . . . 0.0 110.794 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.93 -31.56 71.89 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.409 -0.807 . . . . 0.0 112.327 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -50.88 -42.94 59.42 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.44 1.496 . . . . 0.0 112.762 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.6 ptp -84.37 -34.17 23.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.234 0.925 . . . . 0.0 113.025 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.8 mmm -63.05 -31.62 72.8 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.84 -0.537 . . . . 0.0 111.897 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.43 -44.96 72.88 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.79 0.836 . . . . 0.0 112.375 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -71.02 -47.48 58.46 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.795 1.238 . . . . 0.0 112.049 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.14 -21.26 64.9 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.256 1.422 . . . . 0.0 113.016 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 mmm -88.64 -53.57 4.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.855 1.262 . . . . 0.0 112.99 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.79 2.25 41.02 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 -168.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -139.59 25.19 2.41 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 p -76.57 -21.44 55.62 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.51 -1.368 . . . . 0.0 114.107 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.46 57.26 0.7 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.044 2.137 . . . . 0.0 112.852 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.1 t -78.41 155.93 29.71 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.436 1.894 . . . . 0.0 112.669 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -56.53 -50.45 71.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.061 1.344 . . . . 0.0 113.532 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -70.39 -29.29 65.89 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.038 -1.039 . . . . 0.0 112.43 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.46 -46.84 81.35 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.402 -0.811 . . . . 0.0 111.064 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -47.27 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.741 1.216 . . . . 0.0 110.235 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.54 -41.97 99.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.763 0.825 . . . . 0.0 112.486 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.69 -44.73 77.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.824 0.85 . . . . 0.0 112.225 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.16 66.88 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 113.528 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.67 -42.74 33.56 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.092 -1.005 . . . . 0.0 111.426 168.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -62.77 -24.35 67.68 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.9 m -70.24 -19.82 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -95.26 -22.96 17.46 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 112.978 172.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.65 111.56 1.47 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.959 1.304 . . . . 0.0 110.945 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.46 0.83 53.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -173.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -125.94 -15.76 5.8 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.089 1.356 . . . . 0.0 114.264 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.1 8.23 84.98 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.23 1.395 . . . . 0.0 113.722 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -82.14 -1.07 47.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.25 1.82 . . . . 0.0 115.047 -169.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.11 21.44 55.16 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-N 119.673 1.124 . . . . 0.0 113.627 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.57 163.42 34.84 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.101 1.36 . . . . 0.0 111.039 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -130.03 143.7 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.716 2.006 . . . . 0.0 108.369 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 p -68.26 149.69 49.17 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.122 -1.611 . . . . 0.0 111.576 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.945 -1.097 . . . . 0.0 111.952 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.21 90.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.747 0.819 . . . . 0.0 112.286 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.66 -43.55 75.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.89 0.876 . . . . 0.0 112.245 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.65 -41.01 72.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.063 0.847 . . . . 0.0 111.275 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -59.77 -40.9 89.75 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.454 1.024 . . . . 0.0 111.648 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.97 -63.17 1.3 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.133 0.573 . . . . 0.0 110.576 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.819 HG23 HD12 ' A' ' 112' ' ' LEU . 12.0 p -64.62 -33.63 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.641 1.11 . . . . 0.0 112.944 -172.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.4 mmt -71.2 -11.56 61.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 p -124.39 -2.46 8.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -97.06 -40.32 8.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.833 2.053 . . . . 0.0 111.406 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 108' ' ' VAL . 37.4 mt -123.6 159.38 29.36 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.678 1.591 . . . . 0.0 111.692 -169.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 68.16 -149.46 50.11 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.259 -0.882 . . . . 0.0 114.354 -171.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -71.63 -14.58 62.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.867 1.667 . . . . 0.0 113.623 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.82 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.82 2.848 . . . . 0.0 112.994 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.27 156.46 37.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.884 0.873 . . . . 0.0 112.658 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -66.7 157.05 33.67 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.313 0.645 . . . . 0.0 110.234 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.88 -46.77 71.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.696 1.198 . . . . 0.0 113.971 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -74.54 -27.45 60.52 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.233 -0.917 . . . . 0.0 112.546 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -74.41 -39.89 62.36 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.697 1.199 . . . . 0.0 111.705 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.89 -33.4 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.424 0.69 . . . . 0.0 112.009 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.56 -36.24 80.57 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.675 -1.266 . . . . 0.0 112.009 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -33.19 72.22 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.372 -0.83 . . . . 0.0 112.022 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -64.05 -54.22 37.65 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.508 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.46 -40.05 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.966 . . . . 0.0 111.221 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -54.4 -32.94 58.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.786 1.234 . . . . 0.0 113.938 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -109.82 -25.11 10.51 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.712 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -78.53 -35.53 46.09 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.368 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -76.85 62.57 2.08 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.964 1.705 . . . . 0.0 111.155 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.9 tp -61.25 -26.28 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.802 1.241 . . . . 0.0 112.923 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.35 -14.47 58.96 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.438 1.095 . . . . 0.0 113.528 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.05 32.89 83.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.907 1.242 . . . . 0.0 114.354 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -136.99 24.13 3.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.061 1.344 . . . . 0.0 113.552 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.93 77.82 Favored Glycine 0 CA--C 1.534 1.244 0 O-C-N 120.629 -1.295 . . . . 0.0 113.994 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -125.01 87.6 2.74 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.758 1.623 . . . . 0.0 108.792 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.712 HG13 ' HB1' ' A' ' 128' ' ' ALA . 16.2 t -63.1 122.0 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 110.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -94.1 97.39 10.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.939 0.876 . . . . 0.0 111.023 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.93 -26.79 65.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.933 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.8 -34.91 79.47 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.877 1.217 . . . . 0.0 112.066 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -75.45 -43.25 50.54 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.121 -0.987 . . . . 0.0 111.267 169.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.05 -45.17 93.5 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.403 1.081 . . . . 0.0 113.072 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.65 -38.91 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.751 1.159 . . . . 0.0 111.875 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -68.1 -43.06 79.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.569 0.748 . . . . 0.0 112.053 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.8 ttp -64.8 -47.46 78.0 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.533 0.733 . . . . 0.0 112.066 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.28 -25.96 67.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.003 1.721 . . . . 0.0 112.679 -173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 78.4 p -100.86 -0.87 36.11 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.215 1.406 . . . . 0.0 114.489 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.27 156.82 33.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.602 1.092 . . . . 0.0 113.574 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.638 1.975 . . . . 0.0 113.375 176.335 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 CA-C-O 119.815 -0.436 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.65 5.49 5.55 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.17 3.247 . . . . 0.0 115.263 -172.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.69 31.88 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 119.883 1.22 . . . . 0.0 115.938 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 16.7 m -72.66 -1.12 15.06 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.3 1.44 . . . . 0.0 114.839 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 50.8 tttt -143.01 -36.08 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.056 1.742 . . . . 0.0 113.504 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -51.78 -36.77 48.79 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.325 1.85 . . . . 0.0 114.204 -169.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.89 -38.84 83.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.225 1.41 . . . . 0.0 113.108 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -83.43 -40.53 19.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.74 0.816 . . . . 0.0 112.161 173.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.27 -45.08 72.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.425 1.09 . . . . 0.0 111.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 112' ' ' LEU . 41.0 tt0 -66.94 -25.61 66.43 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.9 m -103.44 -28.63 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.656 1.182 . . . . 0.0 112.342 -173.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.4 m -58.52 -38.83 78.56 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.372 1.069 . . . . 0.0 110.635 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.39 -41.92 77.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.508 0.723 . . . . 0.0 110.407 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.3 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.082 -1.011 . . . . 0.0 112.353 -176.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.2 mt -59.65 -42.64 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.143 0.977 . . . . 0.0 110.94 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.11 -39.69 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.409 1.084 . . . . 0.0 110.982 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.2 -45.62 92.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.692 1.133 . . . . 0.0 111.447 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -58.18 -54.21 49.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.697 1.199 . . . . 0.0 110.739 174.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.97 85.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.4 t80 -63.71 -54.5 34.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.409 0.684 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.57 -26.94 66.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.958 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -63.29 -47.83 80.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.854 1.661 . . . . 0.0 110.862 168.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.47 -37.48 86.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.594 0.758 . . . . 0.0 112.053 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.18 -34.33 78.14 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.116 -0.99 . . . . 0.0 113.005 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.98 -32.07 71.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.887 0.767 . . . . 0.0 112.093 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -65.64 -42.51 91.35 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.238 0.926 . . . . 0.0 111.747 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -70.76 -12.41 61.54 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.852 1.661 . . . . 0.0 113.932 171.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 46.3 mttp 58.89 27.19 15.86 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.705 2.402 . . . . 0.0 114.167 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.1 m -87.53 130.99 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.398 1.079 . . . . 0.0 111.401 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -146.73 149.54 33.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.462 1.505 . . . . 0.0 111.698 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 29.4 mmmt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.332 1.453 . . . . 0.0 111.993 170.135 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.67 0.271 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -80.33 -21.26 42.7 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.721 1.208 . . . . 0.0 113.553 175.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -77.1 141.99 39.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.17 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.05 141.52 34.76 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.708 1.203 . . . . 0.0 110.749 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 m -85.62 157.46 20.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.101 0.96 . . . . 0.0 109.4 169.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -52.7 -30.74 33.88 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -65.89 -36.34 83.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.414 1.085 . . . . 0.0 112.994 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -74.43 -45.58 45.56 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.317 0.647 . . . . 0.0 111.042 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.33 -44.93 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.021 0.929 . . . . 0.0 111.057 -176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.98 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.5 -44.58 67.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 111.482 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -63.95 -34.04 77.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.34 0.656 . . . . 0.0 112.395 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -54.34 -49.79 68.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.8 1.64 . . . . 0.0 111.746 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.81 -50.46 62.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.619 0.767 . . . . 0.0 111.708 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.0 72.83 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -75.25 -48.71 22.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.127 0.876 . . . . 0.0 112.139 175.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.89 -25.28 64.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.09 0.956 . . . . 0.0 112.656 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.85 -21.02 6.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.894 1.678 . . . . 0.0 114.619 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HG12 ' A' ' 35' ' ' VAL . 15.6 m-85 -131.72 11.64 4.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.55 1.54 . . . . 0.0 112.938 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.01 126.59 29.64 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.409 -0.807 . . . . 0.0 110.932 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -69.36 -22.63 63.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.605 1.562 . . . . 0.0 115.155 -169.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -142.33 -10.47 0.84 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.28 7.76 84.52 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.677 1.132 . . . . 0.0 112.874 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -88.77 1.87 54.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.134 1.774 . . . . 0.0 114.063 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.43 29.77 13.5 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.199 -0.938 . . . . 0.0 114.445 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -139.1 149.45 44.56 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.912 1.356 . . . . 0.0 113.294 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -118.94 169.71 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.304 1.842 . . . . 0.0 110.147 171.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -83.95 158.61 21.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.191 0.996 . . . . 0.0 112.175 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -62.67 -22.02 66.16 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.283 1.033 . . . . 0.0 112.815 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.94 -42.54 48.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 112.966 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.01 -15.68 60.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.59 -60.45 2.18 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.732 1.213 . . . . 0.0 112.129 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.63 -26.34 69.71 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 122.038 -0.414 . . . . 0.0 113.402 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -69.0 -40.29 78.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.09 0.956 . . . . 0.0 111.204 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.295 1.8 m -72.45 -31.29 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.375 -0.828 . . . . 0.0 112.2 173.715 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.01 -43.08 99.75 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.096 -1.002 . . . . 0.0 111.331 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -64.41 -34.36 77.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.269 1.028 . . . . 0.0 112.365 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 t -61.74 -36.1 80.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.766 0.826 . . . . 0.0 112.176 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.41 7.97 8.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.795 1.638 . . . . 0.0 114.158 170.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.31 4.72 89.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.141 1.353 . . . . 0.0 115.786 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -102.47 124.56 48.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.033 1.416 . . . . 0.0 110.472 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -109.87 87.03 5.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 123.938 0.895 . . . . 0.0 111.017 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.73 152.77 64.53 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.21 3.273 . . . . 0.0 112.907 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -73.08 151.64 41.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.449 1.1 . . . . 0.0 110.373 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -59.69 -35.13 73.86 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.503 -1.373 . . . . 0.0 112.817 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.51 94.39 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.048 0.939 . . . . 0.0 112.44 173.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.18 -44.28 95.86 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.659 -0.651 . . . . 0.0 111.112 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.42 -48.3 82.17 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.37 0.532 . . . . 0.0 111.385 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -62.27 -39.37 92.7 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.464 1.029 . . . . 0.0 112.391 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -65.8 -38.49 89.12 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.454 -0.779 . . . . 0.0 113.084 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -70.53 -41.04 73.06 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.453 -0.78 . . . . 0.0 111.633 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.526 ' HA ' HG22 ' A' ' 55' ' ' VAL . 54.2 mt -71.91 -22.13 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 121.363 -0.836 . . . . 0.0 112.857 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.95 -29.19 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.044 -1.035 . . . . 0.0 111.35 168.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -89.46 -47.5 7.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.408 1.083 . . . . 0.0 112.706 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 52' ' ' ILE . 16.4 m -76.17 -14.99 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -140.04 52.48 1.68 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.197 0.999 . . . . 0.0 112.612 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.01 -23.66 63.85 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 174.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.67 -16.41 57.33 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.898 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.94 70.63 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.548 1.071 . . . . 0.0 114.879 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -76.76 -17.38 59.09 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 118.584 1.192 . . . . 0.0 113.798 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.08 16.7 76.12 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.522 1.534 . . . . 0.0 114.587 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -134.41 159.23 41.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.019 1.327 . . . . 0.0 113.774 -176.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 mt -139.12 137.12 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 127.366 2.266 . . . . 0.0 108.378 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.52 157.29 19.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.956 0.798 . . . . 0.0 111.905 173.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -47.71 -55.67 16.21 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.04 -21.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.975 1.783 . . . . 0.0 113.327 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' HG3' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -70.97 -41.09 71.49 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.712 0.687 . . . . 0.0 111.168 172.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.63 -40.22 94.09 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.362 -0.837 . . . . 0.0 112.634 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.96 -25.04 66.54 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -37.08 78.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.549 0.74 . . . . 0.0 112.817 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -84.29 -33.7 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.922 -0.486 . . . . 0.0 112.035 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -64.17 -28.77 69.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.1 76.84 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -83.03 -45.35 14.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.457 1.503 . . . . 0.0 113.359 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -79.46 -2.33 41.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.509 1.923 . . . . 0.0 115.047 -175.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mtm -54.37 149.05 10.68 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.466 1.106 . . . . 0.0 112.753 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -75.36 69.13 2.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.606 1.562 . . . . 0.0 111.869 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -140.28 63.52 1.47 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.528 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.4 p -87.28 16.06 5.68 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.505 1.922 . . . . 0.0 114.923 -169.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -72.08 31.61 0.06 Allowed 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.5 t -64.54 136.58 57.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.651 -1.28 . . . . 0.0 111.926 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.39 -41.83 97.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.423 1.089 . . . . 0.0 113.211 -172.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.76 -35.84 77.59 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.609 -0.682 . . . . 0.0 111.851 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -68.14 -42.37 80.23 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.956 0.902 . . . . 0.0 111.691 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.94 -45.37 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.011 0.924 . . . . 0.0 110.327 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -60.58 -44.19 96.48 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.48 1.036 . . . . 0.0 112.425 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -62.92 -42.92 99.95 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.902 0.774 . . . . 0.0 112.569 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.12 68.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.942 1.297 . . . . 0.0 113.632 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.07 -41.95 57.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.918 -1.114 . . . . 0.0 112.23 171.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -57.34 -29.3 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -74.79 -12.32 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.5 m-85 -100.47 -22.77 14.91 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.886 1.275 . . . . 0.0 112.978 169.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -59.63 116.21 3.87 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.428 1.091 . . . . 0.0 110.295 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -70.61 -24.94 62.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.45 1.5 . . . . 0.0 114.092 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -125.16 -13.82 6.67 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 114.256 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.22 20.55 78.98 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.255 0.931 . . . . 0.0 112.419 -168.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.69 -1.53 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.826 1.65 . . . . 0.0 113.966 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.84 21.12 56.64 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 113.928 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.01 166.34 31.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.289 1.436 . . . . 0.0 110.513 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -129.64 138.05 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.504 1.521 . . . . 0.0 109.166 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -65.08 140.3 58.81 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.879 -1.138 . . . . 0.0 110.987 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.98 86.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.295 -0.878 . . . . 0.0 112.605 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -75.04 -43.32 54.2 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.379 -0.826 . . . . 0.0 111.821 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.54 -38.97 84.97 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.03 0.832 . . . . 0.0 110.741 174.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttt-85 -62.24 -37.7 86.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.561 0.744 . . . . 0.0 112.247 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -57.96 -64.76 0.8 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.617 0.644 . . . . 0.0 110.298 170.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.695 HG23 HD12 ' A' ' 112' ' ' LEU . 11.3 p -63.22 -39.69 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.733 0.697 . . . . 0.0 112.559 -171.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -66.24 -16.38 63.96 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.6 p -115.57 3.18 13.95 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -116.05 -29.93 6.17 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.171 1.388 . . . . 0.0 113.975 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.695 HD12 HG23 ' A' ' 108' ' ' VAL . 23.7 mt -131.82 137.78 48.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.823 1.249 . . . . 0.0 110.026 -172.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.62 -146.56 30.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.9 8.57 1.93 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 39.88 103.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 129.908 3.283 . . . . 0.0 114.332 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.74 142.3 58.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.184 -0.947 . . . . 0.0 110.39 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.772 0.829 . . . . 0.0 109.975 173.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.0 -51.98 59.9 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.667 -1.271 . . . . 0.0 114.311 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -71.57 -21.71 61.84 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.985 -1.072 . . . . 0.0 113.179 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -78.43 -41.87 31.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.674 1.19 . . . . 0.0 111.884 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 p -72.57 -34.36 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 123.919 0.888 . . . . 0.0 110.543 173.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.24 -40.65 94.31 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.542 -0.724 . . . . 0.0 111.285 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -57.81 -39.97 78.85 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.863 0.756 . . . . 0.0 111.462 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.2 ttm -58.95 -54.46 46.89 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.934 170.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.4 mm -58.06 -38.41 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 121.349 1.886 . . . . 0.0 111.713 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -57.35 -27.46 62.27 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.43 -17.75 9.99 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.563 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -81.01 -33.83 33.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.189 2.195 . . . . 0.0 112.429 172.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -81.3 137.88 35.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.429 1.091 . . . . 0.0 111.61 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.8 -39.4 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.199 1.4 . . . . 0.0 112.13 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -143.52 -5.64 0.83 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.49 6.86 59.52 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.534 1.54 . . . . 0.0 115.41 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.88 -3.64 23.56 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 119.619 1.709 . . . . 0.0 114.407 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.25 26.04 8.51 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.878 1.704 . . . . 0.0 114.209 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -126.92 99.89 5.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.578 1.551 . . . . 0.0 110.671 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.563 HG13 ' HB1' ' A' ' 128' ' ' ALA . 14.0 t -74.58 128.38 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.669 -0.645 . . . . 0.0 110.247 171.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -97.76 99.89 11.25 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.97 0.891 . . . . 0.0 111.007 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -70.06 -25.93 63.77 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.144 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.93 -32.6 72.33 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.904 1.229 . . . . 0.0 112.246 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -75.07 -42.49 56.74 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 110.518 168.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.92 -43.93 94.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.368 1.067 . . . . 0.0 113.65 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.03 -43.69 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.14 0.976 . . . . 0.0 111.711 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -66.32 -39.14 89.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.373 0.669 . . . . 0.0 111.558 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.1 ttp -64.28 -46.28 84.35 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.633 -0.667 . . . . 0.0 112.665 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.2 mtm -65.41 -43.19 91.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.754 0.706 . . . . 0.0 112.01 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.6 p -80.41 -13.9 58.75 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.287 1.218 . . . . 0.0 114.287 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.24 146.49 43.54 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.325 0.966 . . . . 0.0 112.624 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.171 2.189 . . . . 0.0 113.268 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 CA-C-O 119.233 -0.76 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.77 148.31 71.04 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.661 2.907 . . . . 0.0 113.223 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 76.53 136.45 0.69 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.247 1.403 . . . . 0.0 113.92 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.2 p -77.99 -165.73 0.7 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 112.706 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -7.18 2.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.103 1.361 . . . . 0.0 114.605 169.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -52.82 -31.9 41.39 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.2 1.4 . . . . 0.0 113.204 169.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -59.59 -43.68 93.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.808 1.243 . . . . 0.0 112.367 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -80.45 -38.93 29.09 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.961 0.904 . . . . 0.0 112.024 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -52.02 -44.53 64.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.841 1.256 . . . . 0.0 112.611 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.27 -22.2 62.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -104.38 -30.66 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.834 1.253 . . . . 0.0 111.886 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 37.1 m -56.47 -40.34 74.72 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.338 1.455 . . . . 0.0 111.508 169.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.69 75.55 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.862 -0.524 . . . . 0.0 110.331 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.37 -43.38 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.084 -1.01 . . . . 0.0 111.377 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.8 mt -55.4 -43.54 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.375 1.07 . . . . 0.0 111.598 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.23 -36.34 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.797 0.839 . . . . 0.0 110.899 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.17 -43.54 98.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.772 1.169 . . . . 0.0 111.695 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.37 -49.17 78.83 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.925 0.89 . . . . 0.0 110.638 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.42 97.3 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.869 0.867 . . . . 0.0 112.653 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.5 -51.46 42.99 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -66.8 -24.72 66.21 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.49 -0.756 . . . . 0.0 112.877 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -47.09 65.69 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.713 0.805 . . . . 0.0 110.82 168.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.38 -36.53 78.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.109 0.964 . . . . 0.0 112.949 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.4 mt -52.44 -33.18 42.92 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.276 0.944 . . . . 0.0 112.903 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.36 -28.31 66.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.831 0.852 . . . . 0.0 112.601 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 71.6 mttt -80.69 -31.58 36.18 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.967 1.707 . . . . 0.0 111.456 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -8.94 22.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.387 2.275 . . . . 0.0 114.964 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 20.8 pttm -70.28 -13.63 62.25 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 20.3 m -77.9 15.85 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.34 151.01 42.02 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.014 1.325 . . . . 0.0 112.371 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.438 1.495 . . . . 0.0 112.621 176.885 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.665 0.269 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -77.97 18.05 0.53 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -58.28 143.01 46.12 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.85 1.26 . . . . 0.0 112.464 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -92.1 146.32 23.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.77 0.828 . . . . 0.0 113.02 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 p -76.12 161.99 28.38 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.061 0.944 . . . . 0.0 110.8 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.42 -31.89 71.83 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.901 -1.124 . . . . 0.0 112.341 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.64 -44.14 74.82 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.941 0.896 . . . . 0.0 112.148 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.41 -43.62 98.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.268 0.627 . . . . 0.0 111.139 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.61 -44.74 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.782 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.0 75.88 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.501 1.046 . . . . 0.0 113.2 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.7 -46.68 78.09 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 111.723 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -67.18 -34.23 77.08 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.735 -0.603 . . . . 0.0 112.405 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.3 -50.24 73.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.352 1.461 . . . . 0.0 110.917 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.77 -51.21 68.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.287 0.635 . . . . 0.0 111.92 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.9 -33.15 75.05 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -74.99 -46.95 31.77 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.242 0.928 . . . . 0.0 111.965 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -61.02 -22.66 64.76 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.509 1.124 . . . . 0.0 112.553 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.67 -21.31 17.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.726 1.611 . . . . 0.0 114.354 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.627 ' CD1' HG12 ' A' ' 35' ' ' VAL . 30.2 m-85 -126.08 2.19 7.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.657 1.583 . . . . 0.0 112.945 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -76.22 76.29 3.03 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.559 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -60.48 -26.14 66.57 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -92.98 -11.34 33.45 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.896 1.278 . . . . 0.0 113.717 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.56 30.23 77.33 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.534 -0.729 . . . . 0.0 112.933 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.9 6.09 22.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.089 1.756 . . . . 0.0 113.671 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.45 24.82 55.85 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.838 1.209 . . . . 0.0 114.843 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 p -141.95 159.03 43.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.172 1.486 . . . . 0.0 113.825 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.4 pt -132.96 168.49 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 127.015 2.126 . . . . 0.0 110.046 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -79.54 159.29 26.95 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.309 1.052 . . . . 0.0 113.049 169.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.31 -26.32 67.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.38 1.072 . . . . 0.0 112.722 170.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.33 -41.35 73.34 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.311 1.044 . . . . 0.0 112.181 172.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.77 -18.06 61.02 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.19 -60.67 2.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.585 1.154 . . . . 0.0 111.623 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -30.17 77.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 122.096 -0.377 . . . . 0.0 113.263 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -64.37 -40.4 95.77 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.014 0.907 . . . . 0.0 111.145 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.627 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.325 1.3 m -74.92 -34.04 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.318 173.859 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.5 mtp -56.99 -41.11 77.85 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.922 1.692 . . . . 0.0 112.033 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -67.44 -22.11 65.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.295 1.038 . . . . 0.0 112.889 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -68.75 -34.63 75.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.163 0.892 . . . . 0.0 111.815 169.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.09 1.85 19.79 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.299 1.04 . . . . 0.0 113.069 168.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.96 82.27 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.561 1.553 . . . . 0.0 115.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.26 120.84 26.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.16 1.48 . . . . 0.0 110.12 172.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -103.94 92.77 4.7 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.543 0.737 . . . . 0.0 110.96 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.14 161.07 44.12 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.755 2.97 . . . . 0.0 112.225 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 t -91.73 162.75 14.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.651 0.78 . . . . 0.0 112.692 170.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.03 -42.92 99.89 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.692 -1.255 . . . . 0.0 113.052 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.21 78.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.253 0.621 . . . . 0.0 112.325 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.33 -43.2 82.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.1 1.36 . . . . 0.0 111.657 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.08 -46.57 89.14 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.883 -0.511 . . . . 0.0 111.205 171.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -59.86 -41.52 91.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.267 0.627 . . . . 0.0 112.224 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.99 -39.1 93.37 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.032 0.933 . . . . 0.0 113.141 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.9 mtm -72.54 -41.0 66.3 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.065 0.848 . . . . 0.0 112.191 174.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.8 -28.39 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.041 0.937 . . . . 0.0 111.654 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.905 1.23 . . . . 0.0 112.866 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.95 -48.98 7.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.134 0.974 . . . . 0.0 112.375 172.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.7 t -67.42 -37.89 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.91 1.284 . . . . 0.0 113.207 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -118.23 51.16 1.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.342 1.857 . . . . 0.0 111.749 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.83 -22.28 62.04 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.08 -1.012 . . . . 0.0 113.4 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -77.42 -16.68 58.69 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.779 1.232 . . . . 0.0 113.897 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.99 29.76 70.5 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.533 1.063 . . . . 0.0 114.574 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -76.56 -22.23 54.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.161 1.384 . . . . 0.0 113.687 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.93 15.38 72.81 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.597 1.57 . . . . 0.0 115.326 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -132.7 162.18 32.06 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.092 1.446 . . . . 0.0 113.987 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 mt -137.7 135.19 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.445 2.298 . . . . 0.0 108.209 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.2 157.16 18.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.207 0.603 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -56.59 9.79 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 117.944 -1.026 . . . . 0.0 113.546 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.39 -23.26 32.67 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 121.865 1.71 . . . . 0.0 113.624 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.5 -36.72 65.8 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.792 0.724 . . . . 0.0 111.568 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -63.72 -40.88 97.83 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.493 -0.754 . . . . 0.0 112.249 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.38 -20.79 63.42 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -43.15 97.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.293 0.951 . . . . 0.0 111.872 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -76.81 -35.17 57.77 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.943 -1.098 . . . . 0.0 111.675 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.01 -34.53 77.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.215 0.606 . . . . 0.0 112.004 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.12 38.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.454 1.102 . . . . 0.0 112.72 173.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -71.49 -29.67 65.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -64.16 -34.67 78.61 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.231 0.923 . . . . 0.0 112.798 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.9 mtm -74.25 -55.1 6.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.042 0.837 . . . . 0.0 111.62 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -98.8 63.91 1.43 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.45 1.5 . . . . 0.0 112.176 -170.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 p30 -80.22 0.93 30.38 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.128 0.971 . . . . 0.0 113.028 169.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.7 p -68.82 162.65 25.94 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.84 2.456 . . . . 0.0 114.55 -170.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -62.4 159.26 15.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.427 1.491 . . . . 0.0 112.613 169.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 t -153.15 154.95 35.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.827 1.651 . . . . 0.0 110.112 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -55.85 -44.87 78.42 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.356 -0.84 . . . . 0.0 112.665 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.96 -32.65 74.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.964 0.905 . . . . 0.0 112.135 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.63 -47.57 21.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.804 1.242 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.95 -47.49 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.383 1.473 . . . . 0.0 110.427 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -62.2 -38.89 90.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.108 0.563 . . . . 0.0 112.091 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -75.76 -39.26 57.43 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -36.69 78.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.409 1.083 . . . . 0.0 112.286 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.69 -42.25 86.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.018 -1.051 . . . . 0.0 112.254 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -60.64 -25.45 66.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.069 -1.019 . . . . 0.0 113.402 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -66.38 -22.91 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.934 1.694 . . . . 0.0 113.139 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.585 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -99.63 -25.95 14.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.212 1.405 . . . . 0.0 113.429 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -58.8 134.38 56.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.715 1.206 . . . . 0.0 110.299 174.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.53 -25.89 68.27 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -153.85 4.95 0.29 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.3 44.47 13.3 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 120.627 -1.295 . . . . 0.0 113.055 -171.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -77.29 -19.06 57.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.282 2.233 . . . . 0.0 113.489 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.06 14.44 54.63 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.275 1.417 . . . . 0.0 114.054 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -151.16 162.02 41.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.363 1.065 . . . . 0.0 112.427 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.3 mt -125.77 154.6 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.482 1.913 . . . . 0.0 109.421 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -75.67 143.22 42.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 119.885 -1.759 . . . . 0.0 111.44 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.19 -42.02 65.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.718 0.807 . . . . 0.0 112.758 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.33 80.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.614 0.766 . . . . 0.0 112.31 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -71.87 -42.94 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.51 0.724 . . . . 0.0 112.225 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.05 -39.6 75.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.046 0.839 . . . . 0.0 111.125 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -60.87 -40.32 92.54 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.01 0.823 . . . . 0.0 111.931 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.12 -63.31 1.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.809 0.732 . . . . 0.0 110.65 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.789 HG23 HD12 ' A' ' 112' ' ' LEU . 12.2 p -65.28 -36.57 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.197 0.908 . . . . 0.0 113.129 -171.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.0 mmt -67.97 -14.76 63.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.4 p -117.69 -2.71 11.37 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.245 1.018 . . . . 0.0 113.715 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -103.27 -38.53 7.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.677 1.591 . . . . 0.0 113.044 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.789 HD12 HG23 ' A' ' 108' ' ' VAL . 32.4 mt -126.84 139.7 52.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.809 1.244 . . . . 0.0 111.426 -168.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.59 -150.7 40.31 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 114.443 0.537 . . . . 0.0 114.443 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.1 49.2 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.855 1.662 . . . . 0.0 113.913 -172.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -4.47 108.1 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 130.841 3.657 . . . . 0.0 115.246 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.62 148.83 47.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.806 0.842 . . . . 0.0 112.0 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -68.81 161.18 29.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.914 0.886 . . . . 0.0 110.33 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.23 -45.21 80.05 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.695 -1.253 . . . . 0.0 114.262 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -76.05 -27.74 57.39 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.016 -1.053 . . . . 0.0 112.53 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -72.3 -41.8 66.2 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 111.729 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.2 -35.91 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.968 0.907 . . . . 0.0 111.503 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.46 -38.12 86.64 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.196 -0.94 . . . . 0.0 111.496 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.94 -33.81 67.38 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.086 0.857 . . . . 0.0 112.118 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.0 ttm -66.69 -49.31 66.53 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.15 0.58 . . . . 0.0 110.647 173.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.16 -42.63 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.918 0.781 . . . . 0.0 111.026 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -53.41 -34.75 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.801 1.24 . . . . 0.0 113.713 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -107.63 -22.55 12.47 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.03 -31.31 27.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.902 0.881 . . . . 0.0 113.043 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -77.85 64.81 3.16 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.242 1.417 . . . . 0.0 111.593 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.5 pt -62.22 -23.05 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.464 1.106 . . . . 0.0 113.825 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -89.11 -9.62 50.4 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.865 1.266 . . . . 0.0 113.79 174.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.55 17.66 74.87 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.183 1.373 . . . . 0.0 115.794 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -130.62 34.54 4.12 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.061 1.744 . . . . 0.0 113.451 -174.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.24 22.98 66.77 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.238 1.399 . . . . 0.0 114.628 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.47 84.41 2.27 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.374 1.469 . . . . 0.0 109.313 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.74 109.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.898 1.279 . . . . 0.0 111.125 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -85.67 91.85 8.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 122.289 1.042 . . . . 0.0 110.379 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.402 ' HA ' ' HB3' ' A' ' 141' ' ' PHE . 1.8 p90 -64.81 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.697 -1.138 . . . . 0.0 112.917 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.2 -36.43 77.26 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.639 1.109 . . . . 0.0 111.962 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -73.76 -40.23 63.64 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.303 -0.873 . . . . 0.0 110.907 168.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 2.9 t80 -65.08 -41.13 95.31 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.342 1.057 . . . . 0.0 113.62 -176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.53 -41.92 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.315 0.961 . . . . 0.0 111.369 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.69 -43.56 93.14 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.124 0.57 . . . . 0.0 111.324 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -62.44 -47.69 82.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.589 -0.694 . . . . 0.0 112.526 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.8 mtm -63.09 -37.76 88.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.068 0.547 . . . . 0.0 112.056 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 70.4 p -86.28 -22.95 26.52 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.86 51.71 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.634 1.106 . . . . 0.0 113.108 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.249 1.82 . . . . 0.0 110.97 -179.432 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 CA-C-O 119.124 -0.82 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -64.26 162.27 30.8 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.826 3.017 . . . . 0.0 113.41 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 165.55 144.66 4.15 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.016 1.293 . . . . 0.0 112.504 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 15.0 m -72.73 31.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.924 1.69 . . . . 0.0 115.139 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -155.49 -7.34 0.12 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -60.04 -31.58 70.1 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -69.1 -40.42 78.4 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.398 0.999 . . . . 0.0 112.762 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -71.41 -40.96 70.15 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.648 0.658 . . . . 0.0 111.602 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.16 -43.41 78.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.026 1.33 . . . . 0.0 111.69 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 112' ' ' LEU . 44.3 tt0 -64.19 -28.66 69.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.8 m -99.21 -30.41 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.482 1.113 . . . . 0.0 112.178 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -55.05 -39.79 69.58 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.396 1.078 . . . . 0.0 110.855 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 110.37 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.52 -38.42 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 120.943 -1.098 . . . . 0.0 112.164 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.9 mt -58.52 -43.87 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.021 0.929 . . . . 0.0 110.748 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.3 -39.24 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.363 1.065 . . . . 0.0 111.075 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -58.31 -45.96 87.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.493 1.117 . . . . 0.0 111.871 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -67.84 -44.34 77.43 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.17 0.988 . . . . 0.0 111.544 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.38 81.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.463 0.705 . . . . 0.0 112.801 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -66.55 -52.31 47.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.221 0.608 . . . . 0.0 112.216 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -63.76 -34.1 77.14 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.047 -1.033 . . . . 0.0 112.298 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.74 -36.55 76.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.867 1.212 . . . . 0.0 111.69 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.02 -41.52 70.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 171.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.08 -38.1 78.66 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.465 -0.772 . . . . 0.0 111.89 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.22 -36.74 83.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.982 0.913 . . . . 0.0 112.446 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.12 -39.0 93.09 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.605 1.093 . . . . 0.0 112.401 170.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.21 -39.11 86.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.771 0.828 . . . . 0.0 112.955 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.25 -50.0 15.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.737 1.215 . . . . 0.0 113.17 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 18.7 t -89.04 69.61 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 0.0 110.326 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.1 151.4 45.52 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.735 1.214 . . . . 0.0 111.934 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 28.7 tptp . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.33 1.452 . . . . 0.0 112.305 177.044 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -124.0 -11.6 7.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.087 . . . . 0.0 113.591 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -73.34 146.76 44.99 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.13 0.972 . . . . 0.0 112.007 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -94.09 142.55 27.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.719 1.207 . . . . 0.0 111.842 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 m -71.16 153.72 42.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.715 1.206 . . . . 0.0 110.397 170.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -54.8 -34.56 62.87 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.848 -1.157 . . . . 0.0 113.891 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -70.39 -38.77 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.844 0.858 . . . . 0.0 112.421 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -64.18 -47.11 81.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.723 0.809 . . . . 0.0 110.166 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.01 -46.31 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.153 0.981 . . . . 0.0 110.808 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.24 74.36 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.595 1.089 . . . . 0.0 113.284 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -68.38 -44.4 75.24 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.967 -1.083 . . . . 0.0 111.509 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -63.05 -37.29 86.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 112.074 171.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -60.18 -46.8 88.49 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 110.608 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.99 -45.25 93.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.911 0.884 . . . . 0.0 112.379 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.29 96.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -75.75 -46.6 30.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.821 0.737 . . . . 0.0 112.594 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.3 p -63.75 -17.09 62.68 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.8 -20.73 37.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.301 1.44 . . . . 0.0 113.967 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CD1' HG12 ' A' ' 35' ' ' VAL . 28.6 m-85 -126.4 -2.42 6.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.627 1.571 . . . . 0.0 113.083 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -78.29 71.4 4.76 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.967 -1.083 . . . . 0.0 110.641 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.56 55.67 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -174.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.96 -18.67 26.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.498 1.119 . . . . 0.0 113.911 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.01 13.63 75.98 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.042 0.83 . . . . 0.0 114.184 -170.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -83.26 -2.13 54.85 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 114.033 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.9 25.1 39.03 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.66 1.124 . . . . 0.0 114.273 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -140.84 158.49 43.89 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 119.24 1.52 . . . . 0.0 114.138 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -132.42 171.71 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.845 2.058 . . . . 0.0 110.68 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -87.34 155.37 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.242 1.02 . . . . 0.0 112.967 170.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.48 -30.81 68.8 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 0.0 112.668 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.23 -28.18 65.06 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -82.05 -17.14 47.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.843 1.257 . . . . 0.0 113.578 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.51 -60.26 2.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.672 1.189 . . . . 0.0 111.436 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.5 -25.59 71.5 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.966 -0.459 . . . . 0.0 113.673 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.46 -43.03 82.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.912 0.885 . . . . 0.0 110.896 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.287 1.4 m -73.79 -28.49 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.899 173.23 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.3 mtp -62.46 -40.78 97.74 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.971 1.714 . . . . 0.0 111.863 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -59.22 -29.51 67.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.639 0.775 . . . . 0.0 112.51 172.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -66.89 -20.56 65.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.5 -1.03 57.88 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.963 1.305 . . . . 0.0 112.604 168.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.95 90.21 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.054 1.311 . . . . 0.0 114.636 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -92.23 120.96 33.3 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.736 1.268 . . . . 0.0 109.88 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.44 77.37 4.26 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 121.142 -0.974 . . . . 0.0 110.687 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -63.81 153.23 76.73 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.57 2.847 . . . . 0.0 112.759 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.1 m -78.68 152.28 31.73 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.304 1.041 . . . . 0.0 111.163 169.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.57 -36.65 69.56 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.893 -1.129 . . . . 0.0 113.825 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.551 0.74 . . . . 0.0 112.802 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.73 -45.11 72.35 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.411 0.685 . . . . 0.0 110.912 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.2 mt -58.2 -47.88 82.08 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.302 0.641 . . . . 0.0 111.3 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -63.26 -39.21 93.97 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.86 -42.54 97.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.971 0.805 . . . . 0.0 112.15 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.11 -39.68 93.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.487 -0.758 . . . . 0.0 111.948 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.03 -31.4 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.427 -0.796 . . . . 0.0 111.994 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.69 -28.55 69.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 120.352 1.433 . . . . 0.0 112.807 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -80.59 -47.25 14.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.576 0.75 . . . . 0.0 112.244 170.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 t -73.93 -49.31 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.826 1.251 . . . . 0.0 113.462 -174.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -95.66 48.43 1.14 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 112.104 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -24.27 65.31 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.077 -1.014 . . . . 0.0 113.265 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -78.76 -13.19 59.95 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.868 1.267 . . . . 0.0 113.942 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.02 73.41 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.717 1.151 . . . . 0.0 114.782 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -81.32 -15.69 54.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.744 1.217 . . . . 0.0 113.821 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.92 20.32 76.22 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.737 1.16 . . . . 0.0 114.379 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.5 p -135.03 160.04 39.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.88 1.272 . . . . 0.0 113.858 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.3 mt -139.86 133.98 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.198 2.199 . . . . 0.0 108.41 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 155.9 19.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.974 170.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -47.37 -54.55 21.02 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.21 -23.55 33.19 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.106 1.871 . . . . 0.0 113.496 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.77 -36.73 65.12 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.489 -0.757 . . . . 0.0 111.549 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -62.48 -41.04 98.52 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.442 -0.786 . . . . 0.0 111.755 171.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.34 -21.62 64.18 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -35.88 77.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.085 0.857 . . . . 0.0 112.551 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.51 -33.13 23.61 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.3 0.5 . . . . 0.0 112.101 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.81 -18.87 65.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.296 1.039 . . . . 0.0 113.423 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.4 66.98 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.928 0.785 . . . . 0.0 112.768 168.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -105.86 -53.86 2.57 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.311 1.844 . . . . 0.0 112.491 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.5 36.37 0.1 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.803 2.441 . . . . 0.0 113.2 175.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 ttm -71.36 65.07 0.41 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.301 1.84 . . . . 0.0 115.086 -168.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.296 21.2 ptmt 53.6 -23.36 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 131.58 3.952 . . . . 0.0 118.113 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 50.57 43.28 27.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.926 2.09 . . . . 0.0 114.067 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -70.05 113.43 7.25 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.319 -0.863 . . . . 0.0 110.39 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -75.04 131.95 40.96 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.803 1.641 . . . . 0.0 112.857 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -88.06 114.93 25.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.542 1.137 . . . . 0.0 113.429 -170.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.47 -48.65 76.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.378 1.071 . . . . 0.0 113.826 -172.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -66.08 -32.99 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.577 -0.702 . . . . 0.0 112.032 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -47.46 76.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.689 0.796 . . . . 0.0 111.042 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.02 -47.25 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 124.628 1.171 . . . . 0.0 110.947 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG2' HG11 ' A' ' 142' ' ' VAL . 78.6 mtt-85 -56.97 -46.9 81.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.195 0.907 . . . . 0.0 111.799 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -70.63 -40.25 73.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.528 0.604 . . . . 0.0 112.557 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -35.74 79.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.824 0.849 . . . . 0.0 112.756 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.95 -43.92 77.95 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.148 -0.97 . . . . 0.0 112.159 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -59.28 -27.98 66.34 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 113.005 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.7 t -60.3 -32.76 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.269 1.428 . . . . 0.0 112.583 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 15.6 m-85 -93.79 -9.9 35.96 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -59.34 113.55 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.479 1.036 . . . . 0.0 110.54 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -77.66 -18.57 56.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.146 1.378 . . . . 0.0 114.251 -169.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -123.05 -11.47 8.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.24 1.416 . . . . 0.0 114.204 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 31.78 68.06 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.381 0.991 . . . . 0.0 112.355 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -113.62 8.22 17.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.685 1.594 . . . . 0.0 114.594 -168.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.35 23.27 61.11 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.84 -1.163 . . . . 0.0 114.3 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -150.51 169.0 22.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.679 1.591 . . . . 0.0 110.171 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -129.96 139.32 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.556 1.542 . . . . 0.0 109.051 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -67.03 140.32 57.67 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.698 -1.252 . . . . 0.0 111.007 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.17 89.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.948 -1.095 . . . . 0.0 112.959 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.47 72.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.516 0.726 . . . . 0.0 112.87 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -73.11 -42.3 63.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 111.737 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.63 -41.69 79.11 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.486 0.584 . . . . 0.0 110.832 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -60.01 -39.68 86.64 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.945 0.793 . . . . 0.0 112.058 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -56.66 -63.33 1.24 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.961 0.8 . . . . 0.0 110.644 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.932 HG23 HD12 ' A' ' 112' ' ' LEU . 14.6 p -63.51 -36.83 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.053 0.842 . . . . 0.0 112.776 -172.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -68.0 -14.79 63.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -120.46 -3.12 9.92 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.499 1.12 . . . . 0.0 113.882 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -99.2 -33.94 10.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.438 1.895 . . . . 0.0 112.64 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.932 HD12 HG23 ' A' ' 108' ' ' VAL . 25.6 mt -128.28 160.84 30.9 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.421 1.488 . . . . 0.0 111.123 -169.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.79 -141.28 32.97 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.688 0.605 . . . . 0.0 114.324 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.55 -18.0 61.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.027 1.331 . . . . 0.0 112.742 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? 62.24 106.57 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.424 2.689 . . . . 0.0 112.745 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.51 153.47 42.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.705 0.802 . . . . 0.0 111.822 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.86 159.86 27.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.735 0.814 . . . . 0.0 110.65 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -55.07 -41.41 71.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.891 1.276 . . . . 0.0 114.153 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.72 -32.17 35.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.294 -0.879 . . . . 0.0 112.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -65.83 -41.74 91.4 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.202 -0.936 . . . . 0.0 111.343 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.91 -34.42 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.252 -0.905 . . . . 0.0 112.559 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -69.98 -34.33 73.23 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.977 -1.077 . . . . 0.0 112.36 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.77 -25.9 68.39 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 112.486 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -68.38 -55.23 12.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.554 0.616 . . . . 0.0 109.751 170.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.25 -34.67 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.575 0.625 . . . . 0.0 111.429 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -49.16 -42.56 40.07 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.365 . . . . 0.0 113.11 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -42.93 9.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.337 0.655 . . . . 0.0 111.844 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -68.16 -37.4 80.97 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.997 1.719 . . . . 0.0 113.327 -168.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -80.37 82.5 6.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.362 1.465 . . . . 0.0 111.325 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.9 mm -57.72 -38.27 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.136 1.374 . . . . 0.0 112.466 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.63 -19.28 38.59 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.47 11.03 76.24 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.025 0.822 . . . . 0.0 114.091 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -110.01 26.92 10.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.842 2.057 . . . . 0.0 112.761 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.1 27.19 70.7 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.13 1.348 . . . . 0.0 114.17 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.49 86.17 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.178 1.391 . . . . 0.0 109.915 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.624 HG13 ' HB1' ' A' ' 128' ' ' ALA . 25.4 t -64.45 120.63 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 O-C-N 121.815 -0.553 . . . . 0.0 110.047 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -97.72 90.0 4.83 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.42 1.105 . . . . 0.0 110.87 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -61.62 -28.51 69.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.509 -1.223 . . . . 0.0 113.501 -174.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -26.44 67.99 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.129 0.877 . . . . 0.0 112.534 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.59 -41.95 15.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.138 0.975 . . . . 0.0 111.246 168.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.71 -41.15 98.99 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.093 0.957 . . . . 0.0 113.145 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.443 HG11 ' HG2' ' A' ' 86' ' ' ARG . 12.6 p -59.73 -42.4 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.543 1.137 . . . . 0.0 112.201 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.57 -38.59 87.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.981 0.912 . . . . 0.0 111.727 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.0 ttp -67.82 -45.66 74.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.853 0.861 . . . . 0.0 112.348 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.5 -48.06 81.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.05 0.54 . . . . 0.0 111.874 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.8 p -77.52 7.38 5.57 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.21 152.83 16.32 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.194 -0.941 . . . . 0.0 112.391 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.553 1.541 . . . . 0.0 113.121 -174.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 CA-C-O 118.801 -0.999 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.37 136.48 59.74 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.721 2.28 . . . . 0.0 111.241 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 77.96 -9.02 33.76 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.63 1.109 . . . . 0.0 115.782 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.7 m -69.38 -5.17 21.79 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.898 1.849 . . . . 0.0 114.971 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.03 -23.79 55.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.381 2.273 . . . . 0.0 113.375 169.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -42.12 -42.76 3.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.693 2.397 . . . . 0.0 113.319 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.52 -40.12 68.3 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.987 1.315 . . . . 0.0 113.485 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -88.9 -40.02 13.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.173 0.989 . . . . 0.0 112.575 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.27 -46.47 85.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.771 1.228 . . . . 0.0 112.239 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.504 ' HA ' HD13 ' A' ' 112' ' ' LEU . 54.0 tt0 -66.8 -26.2 66.83 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.8 m -98.4 -31.75 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.285 1.034 . . . . 0.0 112.316 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 55.5 m -57.3 -40.41 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.576 1.15 . . . . 0.0 110.848 170.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.17 81.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 0.0 110.351 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.05 -39.52 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.0 0.92 . . . . 0.0 111.965 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.8 mt -59.19 -44.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.549 1.139 . . . . 0.0 111.339 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.19 -37.73 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.052 0.941 . . . . 0.0 110.095 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.64 -33.8 76.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.093 -1.004 . . . . 0.0 112.824 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -65.49 -54.4 28.77 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.943 0.792 . . . . 0.0 110.603 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.32 78.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.331 1.053 . . . . 0.0 113.008 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.26 -53.29 46.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -26.85 61.3 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.92 -1.113 . . . . 0.0 111.818 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1918 ' ' ARG . . . . . 0.404 ' HG3' ' HE3' ' B' 1922 ' ' LYS . 32.5 tpt85 -61.5 -40.87 96.16 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.76 0.709 . . . . 0.0 110.944 169.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.22 -41.28 85.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.987 0.915 . . . . 0.0 112.963 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.83 -40.7 69.85 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.655 0.661 . . . . 0.0 111.204 172.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.71 -39.11 93.5 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.402 0.681 . . . . 0.0 112.691 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1922 ' ' LYS . . . . . 0.404 ' HE3' ' HG3' ' B' 1918 ' ' ARG . 78.4 mttt -64.55 -38.17 90.1 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.528 1.131 . . . . 0.0 112.875 175.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -82.38 -21.27 35.94 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 64.9 tttm -71.44 -42.64 67.97 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.863 1.265 . . . . 0.0 111.87 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 26.0 t -138.71 116.22 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.744 1.218 . . . . 0.0 110.05 171.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -77.01 170.89 15.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.15 1.38 . . . . 0.0 113.659 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 63.6 mtpt . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.276 1.83 . . . . 0.0 111.63 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.479 0.657 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -102.15 14.64 31.39 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -171.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.33 160.06 20.77 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.386 1.075 . . . . 0.0 113.599 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 mt -138.23 158.49 44.19 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 129.379 3.072 . . . . 0.0 110.477 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 p -73.8 161.37 30.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 0.0 110.3 168.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.34 -34.67 72.64 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.091 -1.006 . . . . 0.0 111.764 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -64.56 -46.67 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.85 1.26 . . . . 0.0 112.128 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.35 -37.88 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.042 0.837 . . . . 0.0 112.493 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mt -64.72 -45.06 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.017 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.31 74.92 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.504 1.047 . . . . 0.0 113.006 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.1 -47.92 82.49 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.27 -0.894 . . . . 0.0 111.382 171.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -70.13 -34.4 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.179 0.592 . . . . 0.0 112.462 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -54.49 -51.08 66.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.619 1.568 . . . . 0.0 110.944 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.38 -53.5 51.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.233 0.613 . . . . 0.0 111.656 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.18 72.28 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.59 -49.13 22.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.901 0.88 . . . . 0.0 111.597 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -61.21 -26.5 67.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 112.396 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.85 -22.61 26.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.398 1.479 . . . . 0.0 114.047 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD2' HG22 ' A' ' 35' ' ' VAL . 43.7 m-85 -119.04 2.77 11.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.981 1.712 . . . . 0.0 113.169 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -74.82 69.11 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.045 1.338 . . . . 0.0 110.662 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -66.22 -18.68 65.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.15 1.38 . . . . 0.0 114.382 -174.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.97 -21.35 26.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.677 1.191 . . . . 0.0 113.621 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.89 77.02 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.665 1.126 . . . . 0.0 114.207 -174.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -100.22 -1.0 37.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.808 1.643 . . . . 0.0 114.586 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.77 25.03 57.2 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.054 -1.029 . . . . 0.0 113.528 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.9 p -142.1 161.23 38.52 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.273 1.429 . . . . 0.0 112.612 -172.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 pt -134.61 173.13 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.285 1.834 . . . . 0.0 110.588 172.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.5 p -85.43 158.24 20.26 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.262 1.029 . . . . 0.0 112.638 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.44 ' HB ' HD13 ' A' ' 52' ' ' ILE . 36.8 p -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.434 1.094 . . . . 0.0 112.369 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.89 -44.51 63.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.709 1.204 . . . . 0.0 112.565 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.53 -13.95 60.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.29 -58.2 4.91 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.807 1.243 . . . . 0.0 111.617 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -27.92 73.24 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 121.356 -0.84 . . . . 0.0 113.196 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -67.91 -41.3 82.89 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.394 1.097 . . . . 0.0 111.388 172.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 19' ' ' PHE . 55.3 t -64.86 -40.47 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.595 1.158 . . . . 0.0 111.116 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.5 mtp -62.38 -45.03 95.0 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 111.892 172.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -64.22 -30.94 71.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.181 0.993 . . . . 0.0 112.638 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -63.76 -29.41 70.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.124 0.97 . . . . 0.0 112.769 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.19 7.39 25.27 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.854 1.661 . . . . 0.0 113.37 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.7 86.05 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.457 1.504 . . . . 0.0 115.357 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -94.96 116.83 29.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.683 1.242 . . . . 0.0 110.294 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -102.41 94.58 5.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 121.491 -0.756 . . . . 0.0 110.863 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.1 156.91 55.17 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.404 3.403 . . . . 0.0 113.368 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.7 m -74.94 147.04 41.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 110.533 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.51 -35.71 81.35 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.371 -1.455 . . . . 0.0 113.292 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.51 72.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.34 -43.57 69.98 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.611 0.764 . . . . 0.0 111.222 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.66 -47.72 79.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.568 0.747 . . . . 0.0 111.176 171.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.0 -42.53 90.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.366 0.667 . . . . 0.0 112.117 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.21 -44.62 87.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.761 0.824 . . . . 0.0 112.549 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mtm -64.63 -39.72 94.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.44 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.5 mt -69.61 -31.8 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.444 -0.785 . . . . 0.0 111.427 175.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.4 -29.16 69.83 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.451 1.478 . . . . 0.0 112.887 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -74.97 -48.25 25.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.174 0.897 . . . . 0.0 111.93 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -77.43 -49.77 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -172.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -96.58 50.6 1.14 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.428 1.491 . . . . 0.0 112.265 -176.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.88 65.29 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.151 -0.968 . . . . 0.0 113.178 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.01 -13.76 59.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.908 1.283 . . . . 0.0 113.95 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.84 72.88 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.698 1.142 . . . . 0.0 114.791 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.97 -15.82 56.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.642 1.177 . . . . 0.0 113.916 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.34 18.34 74.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.921 1.248 . . . . 0.0 114.383 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.3 p -134.44 160.29 38.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.051 1.34 . . . . 0.0 113.787 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -139.9 136.5 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.051 2.14 . . . . 0.0 109.423 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.57 158.15 16.6 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.313 0.645 . . . . 0.0 111.622 171.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -41.95 -53.35 8.27 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.43 -28.86 26.34 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.878 1.718 . . . . 0.0 114.222 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.52 -31.94 67.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.208 -0.933 . . . . 0.0 112.418 173.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.81 -47.1 70.02 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.555 -0.716 . . . . 0.0 111.104 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.77 73.1 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.154 -0.966 . . . . 0.0 112.197 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -51.93 -52.37 50.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.738 1.615 . . . . 0.0 112.069 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.9 ptp -75.49 -32.41 60.56 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.658 -0.651 . . . . 0.0 112.239 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.2 mmm -66.9 -39.92 87.58 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.803 -0.561 . . . . 0.0 111.71 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.67 97.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.583 -0.698 . . . . 0.0 111.903 169.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.97 -43.39 91.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.482 1.113 . . . . 0.0 112.289 176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -64.86 -43.42 93.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.668 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.7 mmm -71.49 -45.79 61.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.421 1.089 . . . . 0.0 113.122 -175.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.99 107.2 2.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.641 1.176 . . . . 0.0 112.961 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.64 -13.29 60.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.732 1.213 . . . . 0.0 112.758 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 167.56 16.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.595 1.958 . . . . 0.0 113.75 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.39 157.75 3.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.127 1.771 . . . . 0.0 112.973 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -146.02 158.51 43.87 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.111 1.765 . . . . 0.0 109.37 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 tm-20 -60.88 -38.24 84.97 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.461 -0.775 . . . . 0.0 112.76 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.8 -45.26 93.47 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.196 0.998 . . . . 0.0 111.597 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.99 -46.53 84.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.808 1.243 . . . . 0.0 111.548 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.52 -47.63 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.439 1.496 . . . . 0.0 110.479 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -68.12 -35.19 77.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -65.76 -47.38 75.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.484 1.114 . . . . 0.0 111.652 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.21 -26.11 67.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.797 1.239 . . . . 0.0 113.965 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.34 -41.0 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.928 -1.108 . . . . 0.0 112.436 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -61.2 -26.35 67.66 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 m -72.29 -15.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -98.49 -25.24 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.899 1.28 . . . . 0.0 113.071 171.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.52 101.85 0.28 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -75.17 -17.12 60.45 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -110.64 -17.56 13.37 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.071 1.348 . . . . 0.0 113.789 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.27 16.5 78.7 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.04 1.305 . . . . 0.0 113.917 -172.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -95.43 2.71 54.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.319 1.448 . . . . 0.0 114.775 -169.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.06 59.52 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 119.661 1.119 . . . . 0.0 114.385 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -146.15 162.76 37.27 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.501 1.52 . . . . 0.0 109.777 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.6 mt -120.75 150.69 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 125.736 1.614 . . . . 0.0 108.953 174.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.9 m -75.31 139.56 42.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.42 -1.425 . . . . 0.0 111.232 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.39 -42.08 81.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.163 -0.961 . . . . 0.0 112.85 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.0 -29.69 70.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -74.69 -43.11 56.81 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.39 -0.819 . . . . 0.0 111.852 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.452 ' HA ' HG22 ' A' ' 108' ' ' VAL . 10.7 tp -69.55 -37.22 76.96 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.149 0.886 . . . . 0.0 111.415 173.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -62.84 -35.3 79.49 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.139 0.881 . . . . 0.0 111.805 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -62.39 -65.28 0.71 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.608 169.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.5 m -56.25 -40.35 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 121.079 1.763 . . . . 0.0 112.733 -174.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 32.9 mmt -75.87 -14.35 60.28 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.3 p -117.44 -4.31 11.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.486 1.114 . . . . 0.0 113.473 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -101.82 -28.73 12.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.0 1.72 . . . . 0.0 113.352 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.95 142.54 47.74 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.128 1.371 . . . . 0.0 110.753 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.19 -147.15 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 114.896 0.719 . . . . 0.0 114.896 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.65 44.1 0.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.704 1.602 . . . . 0.0 113.598 -175.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -3.51 108.17 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 131.211 3.804 . . . . 0.0 114.948 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.57 143.25 56.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.32 161.21 22.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.573 1.149 . . . . 0.0 110.867 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -48.72 -46.98 41.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.83 1.652 . . . . 0.0 114.657 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -84.6 -23.79 29.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.07 0.948 . . . . 0.0 113.106 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -72.76 -41.45 65.06 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.25 1.42 . . . . 0.0 111.71 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.02 -35.75 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.493 0.717 . . . . 0.0 111.088 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -64.93 -39.73 93.97 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.705 -0.622 . . . . 0.0 111.441 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -59.12 -37.4 77.14 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 0.0 111.429 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 ttm -67.39 -40.97 85.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.958 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.35 -44.54 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.011 1.278 . . . . 0.0 110.34 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -57.31 -38.93 74.77 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.949 1.299 . . . . 0.0 112.68 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -47.12 49.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.894 1.277 . . . . 0.0 112.898 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.14 -28.17 22.64 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -168.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -74.9 59.98 0.94 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.4 -30.58 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 126.911 2.084 . . . . 0.0 111.267 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -75.71 -11.26 59.96 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.685 1.194 . . . . 0.0 113.707 172.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.03 3.8 61.32 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 126.185 1.85 . . . . 0.0 116.638 170.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -124.25 35.49 4.81 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.429 1.891 . . . . 0.0 112.77 -169.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.39 27.88 68.89 Favored Glycine 0 CA--C 1.535 1.312 0 O-C-N 121.055 -1.028 . . . . 0.0 113.538 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.17 86.33 2.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.252 1.821 . . . . 0.0 108.693 -171.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.95 104.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.642 1.177 . . . . 0.0 110.817 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -84.72 82.7 8.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 122.145 0.974 . . . . 0.0 111.311 -169.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.61 ' O ' HG23 ' A' ' 142' ' ' VAL . 6.0 p90 -61.3 -29.63 69.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.77 -170.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.28 -39.53 90.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.776 1.626 . . . . 0.0 112.555 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -81.18 -33.47 33.0 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.474 0.71 . . . . 0.0 112.088 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -61.7 -40.63 95.69 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.403 -0.811 . . . . 0.0 112.38 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 138' ' ' TYR . 94.6 t -51.12 -60.4 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.54 1.136 . . . . 0.0 109.174 174.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.08 -23.67 60.57 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.622 -167.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.3 ttp -70.52 -46.58 63.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.518 1.127 . . . . 0.0 111.31 168.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.9 ttp -65.86 -33.61 76.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.641 1.176 . . . . 0.0 112.139 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.7 p -87.31 5.77 36.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.936 1.694 . . . . 0.0 115.126 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.97 165.16 5.75 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.827 1.651 . . . . 0.0 112.972 -179.407 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 CA-C-O 118.667 -1.074 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.58 146.5 73.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.509 2.806 . . . . 0.0 112.596 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 75.71 -77.31 1.28 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.556 1.074 . . . . 0.0 112.84 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 74.1 p -160.48 175.46 12.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.391 1.477 . . . . 0.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 19.1 pttp -62.93 -13.03 29.57 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 174.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 -54.89 -28.13 48.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.591 1.557 . . . . 0.0 113.983 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.58 -38.71 84.43 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.932 1.293 . . . . 0.0 112.86 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -84.12 -33.91 24.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.124 1.37 . . . . 0.0 112.545 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -51.03 -46.06 61.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.048 1.739 . . . . 0.0 113.059 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.89 -26.47 64.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -96.77 -29.85 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.369 1.068 . . . . 0.0 111.8 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 36.7 m -58.82 -40.77 85.12 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.701 1.201 . . . . 0.0 110.848 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.88 83.77 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.726 -0.609 . . . . 0.0 110.328 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.77 -43.55 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.624 -0.672 . . . . 0.0 111.441 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 11.8 mt -57.54 -43.56 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.788 0.835 . . . . 0.0 111.668 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.8 mt -68.99 -35.69 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.662 0.785 . . . . 0.0 110.468 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.39 -41.81 98.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.993 -1.067 . . . . 0.0 112.441 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -58.32 -49.06 78.53 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.198 0.999 . . . . 0.0 110.302 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.13 85.34 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.616 1.166 . . . . 0.0 113.059 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.4 t80 -69.84 -44.76 69.25 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.439 -0.788 . . . . 0.0 113.089 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -62.9 -26.82 68.98 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.143 -0.973 . . . . 0.0 112.246 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -47.46 86.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.379 1.072 . . . . 0.0 110.88 169.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -68.79 -34.83 76.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.235 1.014 . . . . 0.0 113.038 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 51.5 mt -55.46 -35.01 65.03 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.391 -0.818 . . . . 0.0 112.471 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.83 -40.41 54.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.136 0.974 . . . . 0.0 112.192 170.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -56.56 -32.9 65.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.058 1.343 . . . . 0.0 113.228 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -59.38 -38.41 80.45 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 171.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -88.73 -39.34 14.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.497 1.119 . . . . 0.0 113.389 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.9 p -67.17 139.79 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.032 0.933 . . . . 0.0 111.843 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 23.0 pttp -145.04 30.8 1.14 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.162 1.385 . . . . 0.0 113.833 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.3 tptt . . . . . 0 C--O 1.25 1.109 0 C-N-CA 126.058 1.743 . . . . 0.0 112.175 178.509 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -86.67 -11.3 51.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.01 1.324 . . . . 0.0 114.361 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.24 145.58 56.05 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.21 -0.931 . . . . 0.0 112.73 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -87.03 147.93 25.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.134 0.973 . . . . 0.0 111.871 174.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 p -72.28 160.66 32.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.745 0.818 . . . . 0.0 111.266 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.42 -30.09 69.4 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.79 -1.194 . . . . 0.0 112.702 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.0 -45.19 64.41 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.168 0.987 . . . . 0.0 111.948 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -60.89 -45.46 94.49 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.47 -45.64 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.54 74.19 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.973 1.26 . . . . 0.0 113.17 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.68 -44.97 84.61 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.085 -1.01 . . . . 0.0 111.658 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -66.51 -36.45 82.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.733 0.813 . . . . 0.0 112.272 172.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.88 -49.43 75.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.257 1.423 . . . . 0.0 110.327 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.1 -54.46 41.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.466 0.706 . . . . 0.0 111.748 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.05 74.82 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -72.91 -49.78 27.61 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.919 . . . . 0.0 111.419 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -61.54 -25.93 67.62 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.416 1.086 . . . . 0.0 112.725 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.35 -22.86 21.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.404 1.482 . . . . 0.0 114.002 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' HG22 ' A' ' 35' ' ' VAL . 40.5 m-85 -118.29 0.74 11.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.106 1.762 . . . . 0.0 112.662 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -81.98 90.1 6.46 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.721 -1.237 . . . . 0.0 110.271 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -23.57 66.13 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.83 -21.69 16.79 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 10.77 86.07 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.72 1.152 . . . . 0.0 114.241 -175.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -87.34 1.74 52.37 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.671 1.235 . . . . 0.0 114.072 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 30.68 28.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.19 1.376 . . . . 0.0 114.386 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -138.35 160.85 38.45 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.823 1.312 . . . . 0.0 114.258 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 pt -137.83 171.33 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.229 2.212 . . . . 0.0 110.639 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.8 p -82.51 159.3 22.87 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.365 1.078 . . . . 0.0 112.855 169.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.432 ' HB ' HD13 ' A' ' 52' ' ' ILE . 24.3 p -59.59 -29.48 67.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.543 1.137 . . . . 0.0 112.551 169.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -67.18 -40.67 86.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.681 1.192 . . . . 0.0 112.739 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -77.23 -15.19 59.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.759 1.224 . . . . 0.0 114.279 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -57.87 5.52 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.621 1.168 . . . . 0.0 111.583 -177.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.39 -22.08 74.58 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.507 -0.746 . . . . 0.0 113.965 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -73.6 -42.13 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.798 1.239 . . . . 0.0 111.135 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG22 ' CD2' ' A' ' 19' ' ' PHE . 53.5 t -64.93 -38.36 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.82 1.248 . . . . 0.0 110.929 173.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.5 mtp -63.34 -44.01 96.09 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.071 -1.018 . . . . 0.0 112.287 170.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -65.93 -27.15 67.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -62.16 -31.28 71.76 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.817 0.735 . . . . 0.0 112.265 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -88.03 4.72 44.1 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.186 1.794 . . . . 0.0 113.84 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.24 -6.81 62.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.518 1.533 . . . . 0.0 116.022 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.45 131.87 35.21 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.206 1.503 . . . . 0.0 109.876 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -123.7 68.77 43.41 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.795 -166.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -66.66 155.04 72.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.02 3.147 . . . . 0.0 112.993 -173.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.6 m -75.44 154.0 37.31 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.699 1.2 . . . . 0.0 111.761 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.47 -43.34 97.04 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.294 -1.504 . . . . 0.0 113.235 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.19 75.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.485 -0.759 . . . . 0.0 112.623 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.95 -42.59 84.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 111.625 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.36 -47.39 85.59 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.867 0.867 . . . . 0.0 111.177 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.51 -40.22 96.04 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.469 0.577 . . . . 0.0 112.004 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.69 -38.22 90.31 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.102 0.865 . . . . 0.0 112.521 176.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.7 mtm -67.37 -40.54 85.74 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.365 -0.835 . . . . 0.0 112.335 170.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.432 HD13 ' HB ' ' A' ' 29' ' ' THR . 58.1 mt -67.05 -31.46 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.476 1.035 . . . . 0.0 111.612 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.8 -30.2 69.91 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.768 1.167 . . . . 0.0 112.383 173.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -84.04 -48.65 9.69 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.989 1.315 . . . . 0.0 112.495 172.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.2 t -73.49 -41.43 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.768 1.627 . . . . 0.0 113.11 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -108.57 47.81 0.89 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.016 1.727 . . . . 0.0 112.248 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.01 63.48 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.15 0.4 57.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 114.167 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.11 40.86 71.67 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 120.875 -1.14 . . . . 0.0 115.426 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -76.37 -23.36 54.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.224 1.41 . . . . 0.0 113.296 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.77 15.54 77.99 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.681 1.61 . . . . 0.0 114.346 -169.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -138.39 160.6 39.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 113.538 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.98 137.14 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.173 2.189 . . . . 0.0 108.748 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.58 155.6 18.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.566 0.746 . . . . 0.0 111.378 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -44.54 -52.43 17.64 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.02 -29.95 26.54 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 121.986 1.791 . . . . 0.0 113.822 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.2 -31.26 65.72 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.318 -0.863 . . . . 0.0 111.672 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -66.74 -46.77 74.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.614 0.766 . . . . 0.0 111.247 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.92 -35.19 76.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.398 0.999 . . . . 0.0 112.275 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -40.25 63.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.032 1.333 . . . . 0.0 112.56 171.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 ptp -83.92 -33.38 24.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.31 0.959 . . . . 0.0 113.339 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.4 -32.97 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.619 -0.676 . . . . 0.0 112.784 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.14 69.2 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.785 0.721 . . . . 0.0 112.211 171.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.314 0.2 OUTLIER -86.21 -12.22 50.34 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -98.77 -6.12 29.96 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 170.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.6 mtm -64.15 -42.36 96.81 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.461 1.028 . . . . 0.0 109.154 166.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -80.66 151.63 28.88 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.845 1.258 . . . . 0.0 109.558 166.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -156.64 158.35 36.87 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.751 0.82 . . . . 0.0 111.792 -172.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.2 p -79.28 131.25 36.1 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -152.38 155.77 38.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.753 2.021 . . . . 0.0 109.812 169.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.1 t -150.44 126.93 10.79 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.181 0.992 . . . . 0.0 111.839 -177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.51 -28.29 66.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.636 1.175 . . . . 0.0 112.948 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.4 -44.2 65.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.979 0.912 . . . . 0.0 111.465 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.24 -44.54 75.45 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.377 0.671 . . . . 0.0 112.156 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.71 -44.5 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 123.944 0.898 . . . . 0.0 110.524 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -58.83 -45.95 88.83 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.289 0.95 . . . . 0.0 112.191 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -69.89 -39.13 76.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.137 0.88 . . . . 0.0 112.717 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.51 65.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.719 1.207 . . . . 0.0 113.434 173.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -79.52 -42.18 25.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.046 -1.034 . . . . 0.0 110.826 167.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -60.38 -26.38 66.59 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.261 1.024 . . . . 0.0 113.761 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.6 m -68.8 -25.98 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.9 m-85 -90.33 -26.24 20.06 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.458 1.103 . . . . 0.0 112.718 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.22 113.19 2.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 110.528 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -77.84 -19.16 55.36 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -112.06 -15.47 13.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.819 1.247 . . . . 0.0 113.653 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 19.02 73.65 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.528 1.061 . . . . 0.0 113.172 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -94.28 3.59 55.02 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.909 1.683 . . . . 0.0 114.174 -169.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.79 19.41 59.73 Favored Glycine 0 CA--C 1.536 1.347 0 O-C-N 120.947 -1.096 . . . . 0.0 114.283 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -147.07 165.47 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.82 1.248 . . . . 0.0 111.136 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.0 mt -125.39 153.14 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.259 1.823 . . . . 0.0 109.114 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.77 142.83 40.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.076 -1.64 . . . . 0.0 110.654 172.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.88 74.7 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.037 -1.039 . . . . 0.0 112.958 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.18 -27.17 68.51 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.89 -44.12 56.31 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.975 0.91 . . . . 0.0 111.576 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.83 -39.06 80.21 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.596 0.634 . . . . 0.0 111.107 173.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -61.3 -38.84 88.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.304 0.642 . . . . 0.0 111.872 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.24 -64.66 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.412 0.551 . . . . 0.0 110.509 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 11.8 p -62.38 -38.2 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.908 0.776 . . . . 0.0 112.345 -171.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.1 mmt -69.34 -15.51 63.34 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -115.97 0.17 12.97 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.016 1.326 . . . . 0.0 113.693 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -112.72 -31.88 6.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.074 1.749 . . . . 0.0 113.182 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.696 HD12 HG23 ' A' ' 108' ' ' VAL . 29.8 mt -132.64 148.44 52.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.272 1.429 . . . . 0.0 111.036 -171.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.29 -140.23 30.56 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.976 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.42 -7.66 53.67 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt 50.55 93.47 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.067 2.547 . . . . 0.0 113.908 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.38 151.28 28.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.34 1.056 . . . . 0.0 112.061 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 159.86 24.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.802 0.841 . . . . 0.0 110.601 170.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.01 -39.22 81.2 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -77.63 -33.98 53.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.361 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.52 -40.41 89.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.836 1.654 . . . . 0.0 112.092 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.53 -31.92 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 111.971 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -37.23 84.56 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.633 -1.292 . . . . 0.0 111.402 174.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.46 -33.87 70.22 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.704 0.802 . . . . 0.0 111.548 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.7 ttm -66.75 -51.18 58.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.743 0.817 . . . . 0.0 110.945 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.02 -43.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.986 0.812 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -65.18 -20.61 66.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.435 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -110.55 -24.75 10.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.33 32.78 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.181 0.993 . . . . 0.0 113.386 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -74.3 116.56 15.1 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.14 -0.975 . . . . 0.0 110.951 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.5 pt -92.53 -8.72 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.873 1.269 . . . . 0.0 114.403 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -133.36 -12.68 2.73 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.06 -0.74 89.34 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.588 1.566 . . . . 0.0 115.182 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -93.13 18.1 9.9 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.21 1.505 . . . . 0.0 113.242 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.6 32.25 34.35 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 120.993 -1.067 . . . . 0.0 113.938 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.53 91.33 3.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.095 1.358 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.2 104.02 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.791 1.237 . . . . 0.0 110.874 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -83.16 96.43 8.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.406 1.098 . . . . 0.0 110.981 -177.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.57 -26.13 65.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.96 -174.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -68.96 -31.4 70.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.192 1.36 . . . . 0.0 112.731 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.91 -43.99 42.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.462 -0.774 . . . . 0.0 110.44 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -64.29 -43.83 93.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.746 1.218 . . . . 0.0 113.985 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.01 -50.76 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.609 1.164 . . . . 0.0 111.145 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.9 -26.07 63.06 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.3 ttp -69.27 -46.96 65.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.668 0.667 . . . . 0.0 111.412 168.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -64.91 -43.59 92.33 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.392 0.542 . . . . 0.0 112.441 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p -77.88 -13.84 59.75 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.06 42.61 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.943 1.297 . . . . 0.0 113.793 -173.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.27 1.828 . . . . 0.0 111.852 -175.359 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 CA-C-O 118.99 -0.895 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -65.3 148.27 88.33 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.495 2.797 . . . . 0.0 112.538 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 72.61 6.95 67.78 Favored Glycine 0 CA--C 1.54 1.604 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 48.0 t -66.8 156.14 36.34 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.661 1.23 . . . . 0.0 113.389 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -54.82 -39.37 68.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.806 1.642 . . . . 0.0 112.03 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 48.8 tpt85 -57.5 -30.88 65.48 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -168.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -16.46 60.79 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -113.46 -19.97 11.48 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -51.63 -42.58 62.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.797 1.639 . . . . 0.0 112.308 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 56.2 tt0 -69.6 -24.61 63.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.8 m -104.43 -28.25 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.671 1.189 . . . . 0.0 112.588 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.9 m -59.09 -38.21 78.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.145 0.978 . . . . 0.0 110.993 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.74 -40.4 75.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 110.816 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.17 -39.77 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.859 -1.15 . . . . 0.0 111.814 -175.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.3 mt -58.94 -41.46 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.212 1.005 . . . . 0.0 111.368 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.1 mt -71.38 -38.8 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.881 0.872 . . . . 0.0 110.815 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.81 -41.16 86.12 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.196 0.907 . . . . 0.0 111.814 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -58.58 -53.93 52.83 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.843 0.747 . . . . 0.0 111.274 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.74 83.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.116 0.966 . . . . 0.0 112.901 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.98 -53.69 29.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.71 -30.34 70.69 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.804 -0.56 . . . . 0.0 111.679 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -51.29 70.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.984 0.914 . . . . 0.0 111.062 169.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.87 -35.19 79.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 65.7 mt -54.93 -32.09 60.89 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.61 -42.99 50.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.613 0.765 . . . . 0.0 112.103 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.43 -41.31 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.419 1.088 . . . . 0.0 112.932 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -73.35 -23.56 60.24 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -76.74 -45.59 28.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.653 1.181 . . . . 0.0 111.827 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.6 p -154.68 137.99 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.2 1.4 . . . . 0.0 111.986 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 62.3 pttt -153.43 158.88 42.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.93 1.692 . . . . 0.0 111.876 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 10.0 tptp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.253 1.421 . . . . 0.0 112.737 179.057 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.543 0.211 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -83.99 -11.95 56.02 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.3 134.33 52.4 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.012 0.925 . . . . 0.0 111.923 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.8 122.19 34.93 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.042 0.537 . . . . 0.0 111.62 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -87.14 172.85 9.63 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.824 1.249 . . . . 0.0 110.582 168.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.57 -34.5 71.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.94 0.896 . . . . 0.0 111.924 171.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.32 -43.93 69.29 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.119 0.968 . . . . 0.0 112.218 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -61.24 -44.18 97.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.663 0.665 . . . . 0.0 111.219 172.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.17 -42.41 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.249 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.05 78.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.009 1.277 . . . . 0.0 112.756 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.5 -44.8 81.58 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.853 -1.155 . . . . 0.0 111.786 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -65.56 -35.1 79.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.563 0.745 . . . . 0.0 112.187 172.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.37 -50.69 73.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.607 1.563 . . . . 0.0 111.339 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.61 -49.75 72.07 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.603 0.761 . . . . 0.0 111.99 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.34 72.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -75.51 -51.52 12.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.259 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -63.33 -17.52 62.65 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.4 tp -55.04 -22.91 17.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.607 1.563 . . . . 0.0 114.268 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD1' HG12 ' A' ' 35' ' ' VAL . 32.6 m-85 -126.0 6.59 7.26 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.44 1.496 . . . . 0.0 113.26 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.93 70.72 1.99 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.83 1.252 . . . . 0.0 110.29 173.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.71 -18.68 65.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.406 1.483 . . . . 0.0 114.483 -173.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.02 -19.05 26.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.705 1.202 . . . . 0.0 113.75 173.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.23 24.57 75.2 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.541 1.067 . . . . 0.0 114.303 -174.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -104.5 1.79 30.25 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.823 1.649 . . . . 0.0 114.508 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 25.49 54.23 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 120.931 -1.106 . . . . 0.0 113.765 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 p -141.12 159.04 43.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.033 1.333 . . . . 0.0 112.502 -174.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.81 165.94 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.1 1.76 . . . . 0.0 110.001 172.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -79.88 159.17 26.5 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.195 0.998 . . . . 0.0 112.312 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.3 p -62.85 -17.14 61.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.104 0.962 . . . . 0.0 112.652 169.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.0 -42.33 24.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.608 1.163 . . . . 0.0 112.465 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -72.59 -18.63 61.59 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.14 -59.58 2.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.808 1.243 . . . . 0.0 112.201 -175.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.8 -21.68 73.28 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.733 -0.604 . . . . 0.0 113.967 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 m -71.17 -40.2 71.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.466 -1.02 . . . . 0.0 110.664 170.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.592 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.304 1.3 m -72.36 -35.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.941 0.791 . . . . 0.0 112.283 173.833 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.7 mtp -59.01 -34.13 71.52 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.309 1.413 . . . . 0.0 112.859 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -68.18 -24.95 65.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -67.19 -33.4 75.31 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.329 0.968 . . . . 0.0 111.23 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.78 12.9 2.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.782 1.233 . . . . 0.0 113.965 168.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.83 74.23 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 117.177 1.631 . . . . 0.0 117.177 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -138.05 135.28 35.71 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.749 1.775 . . . . 0.0 113.186 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 9.9 t30 -90.04 106.37 14.33 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.301 0.641 . . . . 0.0 111.471 169.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 42' ' ' ASN . 95.4 Cg_endo -68.57 145.94 65.86 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.01 2.473 . . . . 0.0 111.427 168.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -68.42 150.25 48.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.162 0.985 . . . . 0.0 110.32 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -61.08 -30.5 70.38 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.355 -1.465 . . . . 0.0 113.132 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.14 -36.49 81.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.034 0.934 . . . . 0.0 112.92 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.78 -47.49 71.99 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.55 -0.719 . . . . 0.0 110.445 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -57.9 -45.74 86.01 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.091 0.556 . . . . 0.0 111.458 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.55 -43.13 93.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.348 0.659 . . . . 0.0 112.098 176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -66.58 -42.81 86.41 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.519 -0.738 . . . . 0.0 112.566 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 111.923 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.68 -29.34 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.321 -0.862 . . . . 0.0 111.442 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -65.18 -28.33 69.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.427 1.467 . . . . 0.0 113.017 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -74.93 -48.82 22.6 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.429 1.013 . . . . 0.0 111.774 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.42 -46.23 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 113.476 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -107.11 55.38 0.65 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.899 1.679 . . . . 0.0 112.593 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.81 -23.03 64.76 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.246 -0.909 . . . . 0.0 113.337 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -81.83 -15.1 55.2 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.99 1.316 . . . . 0.0 114.094 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.83 27.89 73.52 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.295 0.95 . . . . 0.0 114.352 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -18.55 57.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.26 1.424 . . . . 0.0 114.462 -174.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.53 10.62 85.05 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.438 1.494 . . . . 0.0 116.259 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 p -132.16 160.81 34.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.529 1.664 . . . . 0.0 114.455 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -132.54 134.77 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 128.113 2.565 . . . . 0.0 108.577 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.67 157.23 19.14 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.896 0.771 . . . . 0.0 111.555 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -45.43 -55.83 11.03 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.14 -22.51 30.26 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.801 1.667 . . . . 0.0 113.604 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.26 -26.11 52.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.53 -0.731 . . . . 0.0 112.32 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.93 -39.06 76.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.228 0.922 . . . . 0.0 111.968 169.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.88 -21.28 64.58 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 t -59.85 -35.11 74.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ptp -88.24 -31.32 19.1 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.918 -0.489 . . . . 0.0 111.645 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.89 -32.26 73.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.897 0.771 . . . . 0.0 112.595 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.98 -42.04 75.69 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.353 0.661 . . . . 0.0 112.17 169.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -81.02 -33.96 33.23 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.042 1.737 . . . . 0.0 113.597 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.01 -5.08 59.16 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.782 2.033 . . . . 0.0 114.754 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.6 mtm -70.24 91.91 0.75 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.277 0.944 . . . . 0.0 110.021 168.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -138.73 163.46 32.11 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.396 1.878 . . . . 0.0 112.33 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -132.09 35.72 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.545 1.938 . . . . 0.0 112.674 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.1 p -55.67 144.26 27.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.445 1.498 . . . . 0.0 113.502 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 62.5 -26.14 0.06 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 128.455 2.702 . . . . 0.0 116.481 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.0 t 58.93 114.25 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.816 2.846 . . . . 0.0 115.9 176.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.3 -42.45 86.67 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.177 -0.952 . . . . 0.0 112.318 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.18 -37.57 81.09 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.542 -0.724 . . . . 0.0 112.256 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.39 90.44 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.67 -0.644 . . . . 0.0 111.548 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.05 -47.58 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.61 0.764 . . . . 0.0 110.542 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -57.27 -46.12 83.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.33 0.968 . . . . 0.0 111.913 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -65.47 -42.3 92.41 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.035 0.834 . . . . 0.0 112.657 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.52 -22.75 64.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 113.714 175.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.34 -41.23 34.18 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.91 -1.119 . . . . 0.0 111.01 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.01 -26.4 68.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.91 -21.2 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.07 -27.07 15.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.078 1.351 . . . . 0.0 113.097 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -58.91 128.85 39.31 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.034 0.934 . . . . 0.0 109.804 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -56.95 -40.06 75.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.236 1.414 . . . . 0.0 113.389 -172.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.21 -1.91 1.5 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -173.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.58 42.96 10.72 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.372 0.987 . . . . 0.0 111.779 -168.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -75.52 -19.15 59.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.274 2.23 . . . . 0.0 113.487 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.15 17.22 54.14 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.012 1.291 . . . . 0.0 113.705 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.65 162.5 41.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.426 1.091 . . . . 0.0 112.315 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.54 139.85 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.308 1.843 . . . . 0.0 109.421 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -68.25 143.65 55.19 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.524 -1.36 . . . . 0.0 112.309 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.07 85.62 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.36 -0.837 . . . . 0.0 112.79 -176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.78 72.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.526 0.73 . . . . 0.0 112.829 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -74.09 -44.62 53.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.635 0.774 . . . . 0.0 111.809 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 108' ' ' VAL . 9.8 tp -68.88 -36.13 77.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.781 0.719 . . . . 0.0 111.149 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -63.08 -36.5 83.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.755 1.162 . . . . 0.0 112.032 169.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.4 -64.08 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.917 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.4 m -57.52 -40.42 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.863 1.665 . . . . 0.0 112.722 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.0 mmt -75.91 -10.23 59.26 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -122.32 -4.6 8.88 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -99.95 -26.15 14.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.847 1.659 . . . . 0.0 113.507 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.9 mt -134.48 152.6 51.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.099 1.36 . . . . 0.0 111.14 -168.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.26 -142.59 36.06 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 114.53 0.572 . . . . 0.0 114.53 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -81.04 8.41 8.59 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 42.64 104.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 129.638 3.175 . . . . 0.0 114.891 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.9 144.35 57.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.644 0.777 . . . . 0.0 110.808 170.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.7 159.29 30.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.097 0.559 . . . . 0.0 109.963 171.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.74 -31.71 64.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -83.99 -26.83 28.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.817 0.847 . . . . 0.0 112.952 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -77.82 -40.5 40.24 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.922 1.689 . . . . 0.0 111.537 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.19 -32.52 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.88 0.872 . . . . 0.0 110.992 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.31 -38.4 81.56 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 111.719 170.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.24 -38.25 76.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.652 0.66 . . . . 0.0 110.852 169.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.17 -56.01 22.99 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.198 170.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.57 -40.02 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 121.012 1.733 . . . . 0.0 111.225 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -52.8 -35.02 56.21 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.904 1.681 . . . . 0.0 113.758 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -109.88 -15.92 13.98 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -90.82 -33.58 15.63 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.343 1.857 . . . . 0.0 113.02 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -75.38 66.01 1.75 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.056 1.743 . . . . 0.0 111.388 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.78 -27.57 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.94 1.696 . . . . 0.0 111.818 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -75.17 -20.13 59.5 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.01 0.924 . . . . 0.0 113.463 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.75 12.52 70.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.15 1.357 . . . . 0.0 114.848 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -121.3 28.33 7.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.695 1.998 . . . . 0.0 112.81 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.92 23.87 77.39 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 120.956 -1.09 . . . . 0.0 113.701 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -126.82 89.68 3.03 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.935 1.694 . . . . 0.0 109.372 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.706 HG13 ' HB1' ' A' ' 128' ' ' ALA . 28.7 t -66.43 124.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.242 0.617 . . . . 0.0 110.421 177.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.55 94.41 8.18 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.992 0.901 . . . . 0.0 110.863 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.29 -28.57 68.8 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.798 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.52 -27.51 67.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.508 1.049 . . . . 0.0 112.779 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -88.8 -39.6 13.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.686 1.194 . . . . 0.0 111.671 168.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.72 -43.43 90.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.35 1.06 . . . . 0.0 112.569 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.6 p -56.51 -39.19 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.43 1.092 . . . . 0.0 112.472 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.87 -49.34 59.09 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.237 0.615 . . . . 0.0 110.654 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.92 -43.27 86.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.286 0.634 . . . . 0.0 112.308 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.0 ttp -67.91 -32.0 72.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.621 1.568 . . . . 0.0 112.961 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.6 p -93.57 -28.08 16.24 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.15 151.9 46.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 127.752 2.421 . . . . 0.0 114.39 169.163 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -66.03 118.0 5.14 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.31 2.674 . . . . 0.0 111.243 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 69.3 16.99 71.84 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.518 0.967 . . . . 0.0 115.518 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 68.2 m -57.41 116.02 3.08 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.264 1.532 . . . . 0.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 13.9 ttmm 49.4 38.49 14.2 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.261 1.824 . . . . 0.0 113.867 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -48.28 -39.69 22.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.773 1.629 . . . . 0.0 114.074 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 65.3 pttt -58.16 -31.35 67.16 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -92.91 -41.85 9.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.585 1.154 . . . . 0.0 112.132 171.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.79 -47.86 73.44 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.15 1.38 . . . . 0.0 111.809 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.38 -28.76 68.2 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.7 m -95.81 -30.07 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.229 1.012 . . . . 0.0 112.024 -173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 60.6 m -59.89 -40.69 89.57 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.351 1.06 . . . . 0.0 110.673 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.95 77.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.725 -0.609 . . . . 0.0 110.858 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.83 -37.66 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 120.995 -1.066 . . . . 0.0 112.197 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.23 -45.18 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.297 1.039 . . . . 0.0 110.758 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.46 -41.0 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.443 1.097 . . . . 0.0 111.072 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.94 -48.69 77.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.608 1.163 . . . . 0.0 111.68 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.23 -45.73 79.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.525 1.13 . . . . 0.0 111.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.17 82.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 45.4 t80 -67.42 -49.78 62.29 Favored 'General case' 0 C--O 1.23 0.071 0 O-C-N 121.41 -0.806 . . . . 0.0 111.926 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -65.82 -26.79 67.83 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.545 -0.722 . . . . 0.0 112.429 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -63.08 -43.05 99.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.982 0.913 . . . . 0.0 110.927 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.55 -39.51 91.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.335 0.654 . . . . 0.0 112.478 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.24 -40.63 86.54 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.103 -0.998 . . . . 0.0 112.193 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.88 -45.13 78.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.862 0.865 . . . . 0.0 111.822 172.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -54.19 -42.32 69.57 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.994 1.718 . . . . 0.0 112.516 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.0 -24.16 64.24 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.989 0.916 . . . . 0.0 113.434 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -93.96 -37.7 11.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.211 1.404 . . . . 0.0 113.606 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 27.4 m -86.57 -3.51 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -71.2 139.63 50.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.979 -1.076 . . . . 0.0 110.542 168.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.586 1.555 . . . . 0.0 112.335 -173.854 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.571 0.224 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.31 127.88 33.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.813 1.245 . . . . 0.0 111.511 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -154.8 169.54 23.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.128 0.971 . . . . 0.0 113.299 -169.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.1 mt -120.11 150.93 39.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.46 1.904 . . . . 0.0 112.27 171.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -80.22 155.54 27.31 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.832 1.253 . . . . 0.0 109.55 168.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -55.38 -32.96 63.03 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.878 -1.139 . . . . 0.0 113.822 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -68.07 -42.46 80.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.162 0.985 . . . . 0.0 112.202 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.67 -41.96 95.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.661 0.784 . . . . 0.0 110.83 173.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.39 -44.68 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.222 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.55 74.69 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.42 1.009 . . . . 0.0 112.875 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.55 -44.79 81.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.793 -1.192 . . . . 0.0 111.709 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -68.74 -33.91 74.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.702 0.801 . . . . 0.0 112.218 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.91 -52.71 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.221 1.808 . . . . 0.0 111.048 173.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.01 -50.44 68.51 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.058 0.543 . . . . 0.0 111.761 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.93 74.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -73.28 -48.11 37.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.843 0.857 . . . . 0.0 111.637 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -59.98 -27.05 66.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.287 1.035 . . . . 0.0 112.405 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.91 -21.96 33.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.298 1.439 . . . . 0.0 114.146 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HG22 ' A' ' 35' ' ' VAL . 60.0 m-85 -120.15 4.04 10.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.864 1.666 . . . . 0.0 113.092 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -74.22 67.42 1.37 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.645 1.578 . . . . 0.0 110.823 172.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -66.27 -18.42 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.313 1.445 . . . . 0.0 114.46 -174.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -84.88 -15.01 46.03 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.599 1.159 . . . . 0.0 113.507 171.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 31.99 82.54 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.357 0.98 . . . . 0.0 113.491 -174.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -118.28 5.81 11.89 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.766 1.626 . . . . 0.0 114.036 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 24.53 61.62 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.806 1.193 . . . . 0.0 114.321 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -141.99 158.88 43.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.7 1.2 . . . . 0.0 113.127 -174.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -133.42 168.8 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.28 1.832 . . . . 0.0 110.817 174.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -80.94 158.57 25.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.121 0.963 . . . . 0.0 111.887 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 p -59.7 -30.47 68.82 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.584 0.754 . . . . 0.0 112.437 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.01 -40.03 68.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.786 0.834 . . . . 0.0 112.519 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.63 -15.16 61.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.01 -47.33 71.62 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.908 1.231 . . . . 0.0 112.149 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.4 76.76 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 118.826 0.739 . . . . 0.0 113.48 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -66.1 -41.08 91.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.848 1.324 . . . . 0.0 111.313 172.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 19' ' ' PHE . 55.7 t -64.68 -41.47 92.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.347 1.059 . . . . 0.0 110.977 174.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.7 mtp -62.09 -42.12 98.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.994 -1.066 . . . . 0.0 112.265 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -67.48 -31.0 70.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.049 0.94 . . . . 0.0 112.701 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.5 t -62.8 -33.06 74.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.516 0.726 . . . . 0.0 111.974 169.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.4 mt -82.47 5.87 19.21 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.051 1.74 . . . . 0.0 114.145 170.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.23 -4.43 67.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.482 1.515 . . . . 0.0 115.788 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.29 115.86 23.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.922 1.361 . . . . 0.0 108.923 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -103.65 86.51 1.19 Allowed Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 121.491 -0.756 . . . . 0.0 110.971 176.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.1 153.39 57.27 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.761 2.307 . . . . 0.0 111.057 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -83.99 161.21 20.83 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.196 -0.94 . . . . 0.0 111.637 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.88 -36.35 83.03 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.828 -1.795 . . . . 0.0 113.187 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.59 63.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -87.3 -36.48 17.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.225 1.81 . . . . 0.0 111.551 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.3 mt -58.59 -45.39 89.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.969 0.908 . . . . 0.0 110.905 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -61.32 -36.46 80.19 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.09 -28.05 68.53 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.1 mtm -85.03 -42.57 14.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 112.419 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.27 -28.46 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -59.71 -19.69 51.55 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 121.02 1.736 . . . . 0.0 113.775 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.5 -28.62 59.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.397 1.479 . . . . 0.0 113.513 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 m -105.37 -37.53 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.832 1.653 . . . . 0.0 113.815 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -89.37 30.91 0.94 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.233 1.813 . . . . 0.0 112.243 173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.02 67.96 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.995 -1.066 . . . . 0.0 113.239 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -84.97 -7.85 58.98 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.213 1.405 . . . . 0.0 113.698 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.7 11.5 73.19 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.325 1.441 . . . . 0.0 116.007 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -76.97 -7.12 55.03 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.896 1.848 . . . . 0.0 114.961 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.71 13.33 80.52 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 120.879 -1.138 . . . . 0.0 115.635 171.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -136.69 158.74 43.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.092 1.357 . . . . 0.0 113.195 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.4 mt -139.45 138.45 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 0.0 108.963 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.7 159.58 17.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.734 0.814 . . . . 0.0 112.074 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -46.38 -56.98 9.46 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.93 -21.11 21.4 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.857 1.705 . . . . 0.0 113.074 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.44 -42.62 71.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.53 0.605 . . . . 0.0 111.017 173.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.59 -40.06 86.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.337 -0.852 . . . . 0.0 112.442 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -64.26 -19.17 65.21 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -37.45 84.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.909 0.777 . . . . 0.0 112.492 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -84.18 -33.46 24.19 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.763 -0.586 . . . . 0.0 112.144 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.5 mmm -63.54 -38.45 91.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.485 0.584 . . . . 0.0 111.624 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.65 67.77 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -81.52 -40.04 23.79 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.411 1.084 . . . . 0.0 113.324 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -63.56 -28.99 70.32 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.134 1.374 . . . . 0.0 113.221 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.3 mmm -80.34 -103.26 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.85 1.66 . . . . 0.0 112.116 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt 55.19 -171.76 0.06 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.434 1.894 . . . . 0.0 113.266 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -73.54 158.24 35.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.274 -0.891 . . . . 0.0 111.447 169.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.4 p -135.77 141.14 44.75 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.487 1.115 . . . . 0.0 111.994 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -81.97 126.1 31.54 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.143 0.977 . . . . 0.0 110.0 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.2 t -69.52 126.64 30.35 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -169.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -59.97 -45.62 92.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.812 1.245 . . . . 0.0 112.416 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.84 -33.81 76.42 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.638 -0.664 . . . . 0.0 112.19 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -68.99 -44.82 72.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.815 -0.553 . . . . 0.0 111.569 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.6 -46.22 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.883 0.873 . . . . 0.0 110.02 174.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -48.93 79.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 111.003 178.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.52 -44.81 93.19 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.558 -0.713 . . . . 0.0 112.472 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.73 80.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.701 1.2 . . . . 0.0 112.892 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.66 -43.53 75.99 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.282 -0.887 . . . . 0.0 112.014 172.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -63.14 -23.17 67.31 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.438 -0.789 . . . . 0.0 112.951 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -62.73 -38.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.952 1.301 . . . . 0.0 111.345 167.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.07 -17.98 33.64 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.264 1.426 . . . . 0.0 114.521 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.79 133.43 54.74 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.35 -0.843 . . . . 0.0 109.244 169.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -68.18 -27.68 66.61 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -173.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -149.9 10.01 0.7 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.7 59.28 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 120.842 -1.161 . . . . 0.0 113.598 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -67.34 -18.93 65.36 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.817 2.047 . . . . 0.0 113.597 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 21.74 41.95 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.506 1.527 . . . . 0.0 113.144 -169.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.86 161.64 40.56 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.388 1.094 . . . . 0.0 112.784 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -128.34 139.43 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.747 1.619 . . . . 0.0 109.461 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -66.32 141.76 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.496 -1.377 . . . . 0.0 111.8 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.1 93.2 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.099 -1.001 . . . . 0.0 112.665 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.04 73.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.395 0.678 . . . . 0.0 112.691 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -73.91 -45.49 50.32 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.64 0.776 . . . . 0.0 111.902 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.465 HD22 HG11 ' A' ' 136' ' ' VAL . 11.0 tp -67.97 -34.14 75.99 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.16 0.891 . . . . 0.0 111.268 174.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 -61.91 -45.13 95.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.677 1.126 . . . . 0.0 110.761 168.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -57.55 -57.88 10.75 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.941 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.0 m -58.29 -40.91 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 120.586 1.539 . . . . 0.0 111.715 -178.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.6 mmt -75.59 -14.83 60.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 p -116.11 4.83 13.7 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -105.72 -23.7 12.68 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.734 1.214 . . . . 0.0 113.055 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.89 164.14 27.94 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.972 1.309 . . . . 0.0 111.397 -167.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.39 50.72 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 121.914 0.73 . . . . 0.0 113.508 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -69.15 -12.15 61.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.846 1.658 . . . . 0.0 114.443 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.34 135.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.948 2.499 . . . . 0.0 113.102 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 mt -92.42 151.78 20.06 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.217 1.007 . . . . 0.0 110.033 167.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -67.91 160.59 28.21 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.206 1.002 . . . . 0.0 110.685 170.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -56.09 -44.9 79.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.572 1.149 . . . . 0.0 113.934 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.3 -33.05 64.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.269 -0.894 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.457 1.503 . . . . 0.0 112.297 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.94 -31.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.927 0.891 . . . . 0.0 112.027 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.03 -36.08 77.36 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.941 -1.1 . . . . 0.0 111.762 170.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.08 -29.55 68.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.943 0.897 . . . . 0.0 112.087 171.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.1 ttm -66.46 -55.77 14.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.71 0.686 . . . . 0.0 110.047 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.49 -36.01 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.945 0.793 . . . . 0.0 111.784 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -53.51 -41.51 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.86 1.264 . . . . 0.0 113.419 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -42.1 11.28 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 111.72 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -64.86 -33.65 76.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.432 1.893 . . . . 0.0 112.447 -170.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -102.61 111.22 23.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.589 1.155 . . . . 0.0 110.303 168.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.46 -28.61 22.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 123.89 0.876 . . . . 0.0 112.377 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -90.1 -29.65 18.19 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.411 1.084 . . . . 0.0 113.641 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.01 11.07 83.08 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 125.527 1.537 . . . . 0.0 114.901 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -81.12 -3.34 51.73 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.289 1.436 . . . . 0.0 114.515 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.58 27.2 9.97 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.123 1.821 . . . . 0.0 113.915 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -129.57 101.78 6.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.393 1.477 . . . . 0.0 110.86 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 105' ' ' LEU . 13.7 t -69.36 130.49 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.516 0.674 . . . . 0.0 110.663 173.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.96 80.84 2.53 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.264 1.03 . . . . 0.0 111.752 173.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -57.91 -28.92 64.67 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.448 -173.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.73 -33.13 74.5 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.294 1.037 . . . . 0.0 112.654 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.28 -38.24 27.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.377 0.671 . . . . 0.0 111.193 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.49 -39.54 92.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.889 0.876 . . . . 0.0 113.12 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.39 -45.88 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.836 0.744 . . . . 0.0 111.411 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -66.19 -37.15 84.91 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.618 0.767 . . . . 0.0 111.704 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.09 -46.53 70.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.675 0.79 . . . . 0.0 112.754 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.47 -38.22 90.26 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.129 0.877 . . . . 0.0 111.926 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.1 p -82.8 3.31 29.98 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.92 149.09 37.5 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.402 1.881 . . . . 0.0 114.155 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.403 0 CA-C-O 118.712 -1.049 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.8 170.67 19.49 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.236 3.29 . . . . 0.0 112.655 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.11 80.76 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.583 1.087 . . . . 0.0 113.754 -174.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 30.1 t -154.46 161.77 41.51 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.939 2.096 . . . . 0.0 110.063 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 19.8 ttmm 49.55 53.7 12.26 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.611 1.565 . . . . 0.0 112.33 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -53.43 -32.35 49.4 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.849 1.26 . . . . 0.0 114.318 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.88 -29.54 69.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.61 1.164 . . . . 0.0 113.434 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -88.6 -41.6 12.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.279 1.031 . . . . 0.0 112.46 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.39 -50.06 72.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.877 0.871 . . . . 0.0 111.793 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -64.24 -24.8 67.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.611 1.164 . . . . 0.0 114.1 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.2 m -98.97 -33.0 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.431 1.092 . . . . 0.0 112.375 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -54.98 -41.99 71.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.651 1.181 . . . . 0.0 110.6 171.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.44 76.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.634 -0.666 . . . . 0.0 111.779 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.29 -37.01 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.255 0.934 . . . . 0.0 111.916 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -59.58 -41.67 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.772 1.229 . . . . 0.0 110.939 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.45 -37.88 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.399 1.08 . . . . 0.0 111.057 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.867 1.212 . . . . 0.0 111.665 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.09 -57.09 13.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.651 1.181 . . . . 0.0 110.965 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.95 72.54 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.841 0.856 . . . . 0.0 112.839 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -69.89 -51.45 33.06 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -66.62 -23.56 66.19 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.955 -1.09 . . . . 0.0 112.495 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.91 -48.2 75.0 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.486 1.114 . . . . 0.0 110.072 168.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.7 -30.82 71.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.226 1.41 . . . . 0.0 114.19 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.6 mt -56.27 -20.97 20.93 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.746 0.818 . . . . 0.0 113.047 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.41 -44.44 17.52 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.205 1.002 . . . . 0.0 111.786 168.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -63.41 -34.85 78.65 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.758 1.623 . . . . 0.0 113.589 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -13.43 29.9 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 14.0 mptt -71.03 -36.29 72.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 111.674 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 7.5 p -159.35 120.93 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.431 1.493 . . . . 0.0 110.551 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 60.8 pttt -136.38 136.83 39.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.863 1.665 . . . . 0.0 110.693 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.553 1.941 . . . . 0.0 111.326 -169.533 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.285 0.564 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -98.14 -4.82 34.86 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -62.5 146.58 51.28 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -171.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.38 145.33 27.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.449 1.1 . . . . 0.0 112.526 175.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.0 m -79.65 154.93 28.32 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 109.293 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -55.07 -33.31 62.64 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.992 -1.067 . . . . 0.0 113.708 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.89 -40.35 75.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.04 0.936 . . . . 0.0 112.575 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.11 -43.56 94.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.404 0.682 . . . . 0.0 110.644 172.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.46 -45.68 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.633 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.36 90.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.891 0.769 . . . . 0.0 112.666 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.25 -46.07 82.02 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.185 -0.947 . . . . 0.0 111.783 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.32 -33.91 77.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.463 0.705 . . . . 0.0 112.062 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -55.31 -53.33 57.51 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.09 1.756 . . . . 0.0 111.125 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -66.17 -49.61 66.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.677 0.791 . . . . 0.0 111.728 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.98 73.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -73.48 -48.39 33.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.89 0.768 . . . . 0.0 111.566 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.0 t -61.89 -28.76 69.74 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.269 1.028 . . . . 0.0 113.08 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.53 -19.77 6.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.572 1.549 . . . . 0.0 114.351 170.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CD1' HG22 ' A' ' 35' ' ' VAL . 38.7 m-85 -126.01 8.14 7.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.626 1.171 . . . . 0.0 113.462 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -66.94 133.27 49.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.382 1.073 . . . . 0.0 111.001 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -58.87 -34.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -158.33 12.31 0.18 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 23.96 51.77 Favored Glycine 0 CA--C 1.54 1.646 0 O-C-N 120.809 -1.182 . . . . 0.0 112.32 -168.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.43 -9.16 59.55 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.876 1.67 . . . . 0.0 113.791 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.15 60.75 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.903 1.24 . . . . 0.0 113.48 -171.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -142.17 151.35 42.13 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.567 1.184 . . . . 0.0 113.48 -175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 pt -124.7 171.75 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 126.835 2.054 . . . . 0.0 110.89 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -86.08 159.72 19.48 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 122.329 1.061 . . . . 0.0 112.446 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -62.43 -21.57 65.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.532 1.133 . . . . 0.0 113.024 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.74 -43.55 46.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.352 1.061 . . . . 0.0 112.527 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.53 -13.18 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.85 -57.2 6.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.945 1.248 . . . . 0.0 111.728 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.68 -27.4 71.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.141 -0.974 . . . . 0.0 113.342 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.6 m -74.23 -35.18 63.85 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.15 0.98 . . . . 0.0 111.797 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 19' ' ' PHE . 52.2 t -63.76 -41.41 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.532 0.733 . . . . 0.0 110.305 169.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.6 mtp -63.51 -41.85 98.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.145 -0.972 . . . . 0.0 112.292 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -61.07 -37.39 82.49 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.28 1.032 . . . . 0.0 112.648 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.49 -32.88 73.86 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.955 0.902 . . . . 0.0 112.372 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.7 mt -80.56 6.84 11.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.502 1.521 . . . . 0.0 114.298 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.85 16.96 66.6 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 0.0 115.615 172.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -132.73 125.45 30.23 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.902 1.351 . . . . 0.0 111.462 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.12 92.87 5.86 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.428 1.091 . . . . 0.0 111.862 -175.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.87 152.26 68.7 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.611 2.874 . . . . 0.0 112.421 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -69.9 159.65 33.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.773 0.829 . . . . 0.0 112.042 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -60.2 -31.7 70.39 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.181 -0.949 . . . . 0.0 112.483 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 -44.86 73.56 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.987 0.915 . . . . 0.0 112.219 174.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.83 -45.06 95.45 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.776 0.83 . . . . 0.0 111.957 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.93 -46.03 91.12 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.743 -0.598 . . . . 0.0 111.442 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.8 -41.66 91.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.516 0.726 . . . . 0.0 111.897 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.17 -44.96 95.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.826 0.85 . . . . 0.0 112.63 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -67.84 -40.19 83.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.644 -0.66 . . . . 0.0 112.124 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.1 -29.04 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.8 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.78 -28.9 70.31 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.305 1.411 . . . . 0.0 112.902 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -83.34 -44.33 14.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.495 0.718 . . . . 0.0 112.635 171.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -73.41 -40.06 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.568 1.147 . . . . 0.0 113.908 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -118.73 46.83 1.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.773 1.629 . . . . 0.0 112.712 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.67 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -87.31 -4.82 59.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.63 40.72 58.53 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.031 -1.043 . . . . 0.0 115.277 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.36 -23.59 54.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.144 1.378 . . . . 0.0 113.091 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.43 16.74 77.43 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.791 1.662 . . . . 0.0 114.625 -172.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.1 p -137.83 159.05 43.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.263 1.425 . . . . 0.0 113.563 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -141.07 137.32 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.982 2.113 . . . . 0.0 108.727 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.13 157.55 18.26 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.831 0.741 . . . . 0.0 111.64 172.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.78 -55.72 13.9 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -21.96 30.49 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 121.936 1.757 . . . . 0.0 113.453 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -72.97 -40.53 65.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.815 0.734 . . . . 0.0 111.235 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.87 -39.99 91.28 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.494 -0.754 . . . . 0.0 112.182 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -63.26 -19.22 64.37 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.312 -0.867 . . . . 0.0 113.164 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -35.66 81.12 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.295 0.952 . . . . 0.0 112.8 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.73 -36.18 23.87 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.85 -0.531 . . . . 0.0 111.353 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.11 -24.86 66.76 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.181 0.901 . . . . 0.0 113.124 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.07 88.78 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.765 0.826 . . . . 0.0 112.818 169.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -47.05 9.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.485 1.514 . . . . 0.0 112.848 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -84.9 13.9 5.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.595 2.358 . . . . 0.0 113.611 -174.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ttm -59.26 143.82 48.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.584 1.154 . . . . 0.0 113.43 -169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -71.0 -3.93 22.16 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.96 121.68 14.15 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.958 0.903 . . . . 0.0 111.414 170.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.6 p -149.11 154.04 38.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.332 1.453 . . . . 0.0 111.822 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.08 145.74 55.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.75 0.82 . . . . 0.0 111.491 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.4 t -63.95 115.87 5.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.593 0.711 . . . . 0.0 112.708 -170.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.83 -42.59 90.38 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.413 1.085 . . . . 0.0 112.835 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -65.16 -35.6 81.6 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.961 0.905 . . . . 0.0 112.009 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.85 -43.11 80.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.601 -0.687 . . . . 0.0 111.718 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.71 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 123.182 0.593 . . . . 0.0 110.107 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -59.25 -44.65 92.38 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.154 0.888 . . . . 0.0 112.484 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.53 -46.55 85.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.093 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.15 -21.34 65.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.582 1.553 . . . . 0.0 113.944 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.34 -42.38 20.63 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.253 -0.905 . . . . 0.0 112.541 169.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ttp-105 -62.12 -25.97 68.03 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.109 -0.994 . . . . 0.0 113.446 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.07 -19.46 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.9 m-85 -95.44 -22.42 17.71 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.401 1.08 . . . . 0.0 112.805 173.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.06 115.68 3.94 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.393 1.077 . . . . 0.0 110.413 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -73.73 -16.79 61.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -125.99 -15.74 5.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.98 18.92 79.21 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.074 0.845 . . . . 0.0 112.822 -168.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -80.88 -2.38 47.23 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.902 1.681 . . . . 0.0 114.39 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.84 23.24 56.25 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.63 1.11 . . . . 0.0 113.571 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.36 164.38 35.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.533 1.133 . . . . 0.0 111.974 -178.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -129.21 144.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.025 1.73 . . . . 0.0 108.942 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.7 t -65.42 144.42 57.07 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.211 -1.556 . . . . 0.0 111.338 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.29 69.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.47 79.67 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.271 0.628 . . . . 0.0 112.164 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -72.06 -43.73 64.43 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.457 0.703 . . . . 0.0 112.383 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.35 -40.2 77.65 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.936 0.789 . . . . 0.0 110.9 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -58.37 -45.79 87.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.051 0.841 . . . . 0.0 111.345 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -54.99 -59.21 5.06 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.234 0.614 . . . . 0.0 111.364 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.721 HG23 HD12 ' A' ' 112' ' ' LEU . 11.3 p -65.04 -34.87 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.998 0.817 . . . . 0.0 112.264 -175.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -71.45 -15.53 62.34 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -116.47 8.08 13.95 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 169.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -108.85 -44.68 3.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.967 1.307 . . . . 0.0 111.718 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.721 HD12 HG23 ' A' ' 108' ' ' VAL . 54.4 mt -121.13 146.82 46.35 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.091 1.357 . . . . 0.0 111.865 -168.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.88 -148.84 43.73 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.149 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -69.54 -6.36 30.34 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 54.63 108.52 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.266 2.626 . . . . 0.0 114.358 -173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.12 149.43 46.45 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.782 -0.574 . . . . 0.0 110.539 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.76 161.78 25.33 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.974 . . . . 0.0 110.852 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -56.02 -45.76 79.02 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.63 -1.294 . . . . 0.0 114.143 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.41 -31.99 64.18 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.147 -0.97 . . . . 0.0 112.268 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.0 -40.31 71.9 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.801 1.64 . . . . 0.0 112.264 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 p -75.04 -30.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.168 0.987 . . . . 0.0 111.662 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -70.71 -35.94 72.98 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.855 -1.153 . . . . 0.0 112.181 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.32 -30.69 68.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.953 0.901 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 ttm -67.47 -55.83 12.02 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.458 0.703 . . . . 0.0 109.819 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -57.08 -37.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.271 0.941 . . . . 0.0 111.562 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -50.34 -38.97 44.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.74 1.216 . . . . 0.0 113.807 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -110.09 -20.48 12.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.275 1.43 . . . . 0.0 114.141 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -77.15 -38.67 51.36 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.918 1.687 . . . . 0.0 112.333 173.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.87 62.76 2.76 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 111.32 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 20.4 tt -62.24 -24.61 35.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 124.316 1.046 . . . . 0.0 112.81 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -73.93 -17.13 61.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.341 1.056 . . . . 0.0 113.633 171.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.71 78.6 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.899 1.238 . . . . 0.0 113.98 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -139.4 24.61 2.47 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.206 1.402 . . . . 0.0 113.299 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.78 78.7 Favored Glycine 0 CA--C 1.536 1.392 0 O-C-N 120.654 -1.279 . . . . 0.0 113.956 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -121.87 90.11 3.25 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.541 1.536 . . . . 0.0 109.199 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 128' ' ' ALA . 24.0 t -65.53 120.65 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 174.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -92.15 96.16 10.16 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.807 0.813 . . . . 0.0 110.502 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' O ' HG23 ' A' ' 142' ' ' VAL . 2.4 p90 -64.51 -32.44 74.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.751 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -60.13 -39.15 85.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.576 1.535 . . . . 0.0 112.732 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -76.52 -37.97 55.88 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.197 0.999 . . . . 0.0 112.111 169.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 5.1 t80 -64.53 -39.03 93.01 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 138' ' ' TYR . 5.3 t -56.44 -49.57 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.663 1.12 . . . . 0.0 108.592 170.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -63.92 -38.4 90.94 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.849 0.718 . . . . 0.0 110.983 -171.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.5 ttp -66.7 -45.71 77.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 112.846 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.0 mtm -64.42 -39.21 93.41 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.701 0.682 . . . . 0.0 112.617 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.8 p -77.7 -36.17 51.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.994 0.918 . . . . 0.0 113.021 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.32 162.27 10.18 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.762 1.225 . . . . 0.0 113.777 173.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 124.784 1.233 . . . . 0.0 111.613 169.858 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.53 0 CA-C-O 118.501 -1.166 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 165.25 9.67 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.88 3.053 . . . . 0.0 114.181 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 179.38 -136.65 2.88 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.467 1.032 . . . . 0.0 112.721 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.0 p -152.19 171.74 17.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.492 1.117 . . . . 0.0 112.788 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 17.1 tptm -47.53 -41.55 21.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.933 1.693 . . . . 0.0 112.929 172.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -60.79 -31.04 70.43 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.424 1.089 . . . . 0.0 113.261 -169.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -70.39 -36.98 74.43 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.15 0.886 . . . . 0.0 113.135 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -74.32 -43.44 56.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.141 0.882 . . . . 0.0 111.356 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.32 -42.76 70.52 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.923 1.289 . . . . 0.0 111.717 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 41.7 tt0 -65.89 -28.47 68.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 10.4 m -99.79 -31.33 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.453 1.101 . . . . 0.0 111.953 -173.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -56.04 -39.54 72.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.779 1.231 . . . . 0.0 111.098 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.17 72.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.663 0.785 . . . . 0.0 111.052 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 92.7 mt -65.53 -39.37 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 120.6 -1.313 . . . . 0.0 111.941 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.9 mt -57.46 -41.9 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.414 1.085 . . . . 0.0 110.678 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.3 -41.2 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 111.337 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -54.43 -47.21 73.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.506 1.048 . . . . 0.0 111.586 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -72.21 -42.9 65.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.018 0.927 . . . . 0.0 111.86 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.77 85.17 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 173.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.78 -50.93 67.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.076 0.55 . . . . 0.0 112.121 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 33.1 mtm-85 -67.02 -28.0 67.87 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.281 -0.887 . . . . 0.0 112.615 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.65 -40.71 97.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.866 0.757 . . . . 0.0 110.82 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.94 -36.06 82.32 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.049 0.84 . . . . 0.0 112.937 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.703 -1.248 . . . . 0.0 112.021 171.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.0 -35.42 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.896 -1.128 . . . . 0.0 112.009 170.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.89 -35.57 80.32 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.961 0.905 . . . . 0.0 112.614 172.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.12 -45.91 89.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.516 1.053 . . . . 0.0 111.369 169.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -82.81 5.91 20.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.227 1.811 . . . . 0.0 114.921 -172.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.14 141.72 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.162 0.985 . . . . 0.0 111.981 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 65.5 mttp -79.21 58.27 2.49 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.391 1.476 . . . . 0.0 112.696 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.633 1.573 . . . . 0.0 111.759 174.911 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -66.72 22.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 127.694 2.398 . . . . 0.0 117.041 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -83.56 141.48 31.55 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.414 -1.429 . . . . 0.0 112.581 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.17 151.8 24.28 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.283 1.433 . . . . 0.0 111.293 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -72.14 161.62 30.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.344 0.657 . . . . 0.0 111.108 169.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -60.96 -33.8 73.77 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.798 -1.189 . . . . 0.0 112.268 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.88 -44.93 75.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.941 0.896 . . . . 0.0 112.065 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.13 -45.98 91.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.323 0.649 . . . . 0.0 111.24 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.39 -46.35 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.092 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.12 76.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.661 1.118 . . . . 0.0 112.835 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.97 -45.2 86.69 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 111.568 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.04 -37.7 88.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.825 0.85 . . . . 0.0 112.441 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.23 -50.43 72.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.762 1.625 . . . . 0.0 111.171 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -65.02 -51.9 59.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.32 0.648 . . . . 0.0 111.836 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.29 72.43 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -72.65 -50.62 23.87 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.982 0.913 . . . . 0.0 111.443 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 t -61.49 -24.6 66.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.045 0.938 . . . . 0.0 112.643 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -56.62 -21.83 29.78 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.398 1.479 . . . . 0.0 113.927 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD2' HG22 ' A' ' 35' ' ' VAL . 61.1 m-85 -121.62 4.52 10.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.824 1.65 . . . . 0.0 113.312 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.8 109.55 3.91 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.366 -0.834 . . . . 0.0 110.386 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -73.21 -19.58 61.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.99 1.716 . . . . 0.0 115.067 -175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.45 -17.8 8.66 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.43 85.45 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.561 1.076 . . . . 0.0 113.29 -169.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -89.21 -0.17 57.24 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.666 1.586 . . . . 0.0 113.912 -175.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.86 30.22 32.64 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.731 1.158 . . . . 0.0 113.855 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -140.55 156.43 46.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.865 1.266 . . . . 0.0 113.319 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.7 pt -131.33 170.96 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 126.938 2.095 . . . . 0.0 110.147 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -88.89 162.55 16.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.386 1.088 . . . . 0.0 113.385 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.2 p -59.57 -18.94 45.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.855 1.262 . . . . 0.0 112.846 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -43.21 57.99 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.355 1.062 . . . . 0.0 112.363 170.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.17 -17.25 57.06 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 48' ' ' LEU . 1.3 tt -46.25 -57.99 4.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.132 1.373 . . . . 0.0 111.912 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -29.11 74.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.511 -0.743 . . . . 0.0 113.245 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -69.34 -40.36 77.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.305 1.052 . . . . 0.0 111.551 173.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 19' ' ' PHE . 51.4 t -63.81 -41.71 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.604 1.161 . . . . 0.0 110.579 173.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.0 mtp -62.09 -42.99 99.77 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.932 . . . . 0.0 112.532 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -64.24 -33.66 76.32 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.521 -0.737 . . . . 0.0 112.408 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 t -64.14 -34.97 79.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 0.0 112.159 169.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 26.43 0.23 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.331 1.852 . . . . 0.0 114.27 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.88 70.54 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 169.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -138.2 127.0 23.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.708 1.203 . . . . 0.0 111.158 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.21 95.56 2.94 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.878 0.871 . . . . 0.0 110.818 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -64.41 150.2 88.68 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.533 2.822 . . . . 0.0 112.622 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -81.95 142.52 32.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.839 0.855 . . . . 0.0 109.967 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.32 -28.55 69.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.528 -1.357 . . . . 0.0 113.568 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -31.34 72.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.201 1.0 . . . . 0.0 113.083 172.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.81 -49.89 48.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.679 -0.638 . . . . 0.0 109.966 169.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 32' ' ' LEU . 30.1 mt -61.71 -39.06 90.18 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -61.32 -40.27 93.6 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.665 0.666 . . . . 0.0 111.64 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -69.2 -43.37 74.29 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.641 -0.662 . . . . 0.0 111.767 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.8 mtp -60.54 -39.85 89.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.544 1.138 . . . . 0.0 111.934 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.64 -32.45 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.939 0.896 . . . . 0.0 111.583 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -63.53 -30.56 71.66 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.923 1.692 . . . . 0.0 112.4 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.99 -51.65 15.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.909 0.777 . . . . 0.0 112.464 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.7 t -74.12 -45.42 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.644 1.177 . . . . 0.0 113.246 -171.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -102.33 56.08 0.79 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.935 1.694 . . . . 0.0 112.32 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -23.35 63.98 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -83.11 -14.6 53.33 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.964 1.306 . . . . 0.0 114.168 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.39 27.94 73.51 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.256 0.932 . . . . 0.0 114.171 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -18.28 55.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.531 1.533 . . . . 0.0 114.489 -173.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.58 5.67 89.27 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.391 1.472 . . . . 0.0 116.251 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -126.94 159.19 34.75 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.998 1.899 . . . . 0.0 114.821 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.81 134.4 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 128.026 2.53 . . . . 0.0 108.84 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.65 157.11 18.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.276 0.631 . . . . 0.0 111.394 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -45.44 -53.07 19.85 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.72 -27.13 27.04 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.811 1.674 . . . . 0.0 113.353 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.0 -29.18 61.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.173 -0.954 . . . . 0.0 111.899 174.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -69.43 -42.69 74.65 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.264 -0.898 . . . . 0.0 110.911 168.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.31 -26.45 68.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.87 -1.144 . . . . 0.0 112.284 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -35.81 70.16 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.115 1.366 . . . . 0.0 113.427 171.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.2 ptp -84.52 -40.39 17.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.043 1.292 . . . . 0.0 111.627 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.4 mmm -65.83 -39.77 91.16 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.331 0.514 . . . . 0.0 112.287 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.39 70.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.896 0.878 . . . . 0.0 112.958 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -81.53 -43.39 18.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.827 1.651 . . . . 0.0 111.971 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -65.42 -39.44 92.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.151 1.381 . . . . 0.0 112.715 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.3 mmm -61.0 -16.86 48.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.337 1.055 . . . . 0.0 113.286 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -118.34 23.06 11.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.651 1.98 . . . . 0.0 112.942 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -69.07 -12.14 61.42 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.8 m -106.17 136.39 45.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.88 2.072 . . . . 0.0 111.229 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.64 150.93 34.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.442 1.497 . . . . 0.0 113.859 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.3 t -158.26 156.55 30.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 110.044 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -47.19 83.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.635 1.107 . . . . 0.0 113.744 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -69.61 -29.58 67.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.441 -0.787 . . . . 0.0 112.198 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.06 -36.86 61.77 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.553 0.741 . . . . 0.0 112.134 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.66 -47.9 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.19 0.996 . . . . 0.0 109.587 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -56.42 -48.37 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.422 0.689 . . . . 0.0 112.492 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.7 -40.96 84.3 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.21 86.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.01 1.324 . . . . 0.0 112.751 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.34 -43.61 94.05 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.134 -0.978 . . . . 0.0 111.468 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -63.13 -22.44 66.86 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.2 -31.86 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.988 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.654 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.8 m-85 -93.0 -16.58 24.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 175.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -57.29 129.22 40.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.548 1.139 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.75 -40.56 88.55 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.702 1.601 . . . . 0.0 113.519 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.97 3.81 0.46 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.83 8.42 45.47 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.27 1.414 . . . . 0.0 115.243 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -69.56 -3.29 14.19 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 119.441 1.621 . . . . 0.0 115.101 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.25 25.4 51.72 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.757 1.162 . . . . 0.0 113.023 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.24 166.32 28.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.237 1.415 . . . . 0.0 111.259 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.17 136.23 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.889 1.675 . . . . 0.0 109.037 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 m -67.08 142.53 57.1 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.161 -1.587 . . . . 0.0 111.825 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.18 83.53 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.435 -0.791 . . . . 0.0 113.06 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.47 74.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 112.742 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -74.34 -43.5 56.37 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.647 0.779 . . . . 0.0 111.843 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.91 0.777 . . . . 0.0 110.756 174.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -59.86 -40.99 90.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.899 0.772 . . . . 0.0 112.038 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.02 -63.41 1.22 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.897 0.771 . . . . 0.0 110.476 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.674 HG23 HD12 ' A' ' 112' ' ' LEU . 14.8 p -64.51 -37.87 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.089 0.859 . . . . 0.0 112.785 -171.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.3 mmt -69.11 -14.86 63.24 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -118.21 1.22 11.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.07 -41.35 5.6 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.323 1.849 . . . . 0.0 112.099 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.674 HD12 HG23 ' A' ' 108' ' ' VAL . 31.6 mt -125.5 144.52 50.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.339 1.456 . . . . 0.0 111.806 -168.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.17 -151.24 45.12 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 121.399 0.444 . . . . 0.0 114.165 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.62 52.13 0.97 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.066 1.746 . . . . 0.0 113.281 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -14.02 113.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 130.989 3.716 . . . . 0.0 114.998 -174.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.63 150.6 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.021 0.928 . . . . 0.0 112.144 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -70.13 159.21 34.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.879 0.871 . . . . 0.0 110.195 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.266 1.027 . . . . 0.0 113.694 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.84 -23.33 58.43 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.356 -0.84 . . . . 0.0 112.973 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -81.81 -41.1 21.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.615 1.566 . . . . 0.0 111.672 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.08 -33.42 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.305 0.642 . . . . 0.0 111.034 171.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.4 -40.71 93.78 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.36 -0.837 . . . . 0.0 111.789 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.76 -40.23 83.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.508 0.595 . . . . 0.0 111.229 171.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttm -58.99 -53.97 52.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.298 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.2 mm -60.04 -37.4 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 121.247 1.839 . . . . 0.0 111.322 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.16 -31.68 63.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.849 1.26 . . . . 0.0 113.969 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.41 -17.65 13.42 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.191 1.396 . . . . 0.0 114.553 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.558 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -87.6 -33.43 18.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.878 2.071 . . . . 0.0 113.4 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -67.26 128.55 36.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.314 1.046 . . . . 0.0 111.679 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.22 -30.81 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.288 1.035 . . . . 0.0 113.698 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -148.83 -5.39 0.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.09 59.38 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.557 1.551 . . . . 0.0 115.047 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.01 -7.32 56.72 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 119.338 1.569 . . . . 0.0 114.337 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.92 19.62 12.68 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.202 1.382 . . . . 0.0 114.978 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.58 104.32 11.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.842 1.321 . . . . 0.0 110.963 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.558 HG13 ' HB1' ' A' ' 128' ' ' ALA . 21.5 t -71.66 124.47 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.834 -0.541 . . . . 0.0 109.736 169.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -96.01 102.53 14.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.076 0.941 . . . . 0.0 110.215 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -71.72 -22.04 61.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.018 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -66.97 -37.82 84.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.0 1.273 . . . . 0.0 112.303 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -71.16 -41.35 70.52 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 110.952 168.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.45 -43.5 80.96 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.77 -43.19 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.299 -0.876 . . . . 0.0 110.903 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.36 -35.25 79.88 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.052 0.541 . . . . 0.0 111.988 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.3 ttp -69.12 -46.74 66.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.778 1.231 . . . . 0.0 112.75 173.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.62 -39.37 91.41 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.476 -0.765 . . . . 0.0 112.432 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p -83.34 -0.4 49.59 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.56 163.99 10.27 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.553 1.141 . . . . 0.0 113.609 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.751 1.22 . . . . 0.0 111.584 173.87 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.6 14.02 1.94 Allowed 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 124.501 3.467 . . . . 0.0 114.978 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 119.33 -141.84 16.06 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.861 1.695 . . . . 0.0 112.888 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 99.3 p -69.23 170.86 9.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.743 1.217 . . . . 0.0 113.551 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -88.11 -107.4 0.07 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.42 1.088 . . . . 0.0 110.398 170.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -55.32 -40.95 71.77 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.757 1.623 . . . . 0.0 113.389 -168.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 90.3 mttt -47.73 -57.62 5.33 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.967 1.307 . . . . 0.0 112.199 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -85.91 -27.75 24.78 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -54.54 -43.58 72.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.672 1.123 . . . . 0.0 111.354 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.81 -22.26 63.32 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 2.8 m -104.02 -30.19 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.468 1.107 . . . . 0.0 112.952 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.9 m -56.3 -39.56 72.9 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.366 1.066 . . . . 0.0 109.875 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.15 88.95 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.382 0.673 . . . . 0.0 110.409 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.01 -37.84 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.007 -1.058 . . . . 0.0 112.266 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.17 -43.7 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 110.726 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.1 -39.09 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.516 1.126 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.77 -46.42 87.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.48 1.112 . . . . 0.0 111.571 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.51 -49.63 77.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 111.522 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.92 98.66 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.486 0.714 . . . . 0.0 112.156 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.7 t80 -66.7 -50.1 63.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.914 0.486 . . . . 0.0 112.149 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -66.88 -25.19 66.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -69.87 -46.2 66.02 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.121 0.873 . . . . 0.0 110.618 168.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.46 -31.02 72.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.578 1.151 . . . . 0.0 113.676 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.77 -28.04 54.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.849 1.26 . . . . 0.0 112.804 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 74.0 mt -76.9 -52.59 9.16 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.477 0.711 . . . . 0.0 110.198 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.54 -39.67 61.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.525 1.93 . . . . 0.0 113.781 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -1.96 14.5 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -122.13 -44.21 2.29 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.52 1.528 . . . . 0.0 113.175 170.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 16.5 m -144.84 139.88 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.639 1.575 . . . . 0.0 112.055 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -156.38 163.07 39.92 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.318 1.447 . . . . 0.0 112.266 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.562 1.545 . . . . 0.0 112.365 178.598 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.569 0.223 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -84.62 3.48 36.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.244 1.417 . . . . 0.0 114.391 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.66 142.86 57.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.354 1.062 . . . . 0.0 112.073 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.83 146.13 33.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.528 0.68 . . . . 0.0 112.307 173.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -72.99 154.87 40.34 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.779 1.231 . . . . 0.0 110.02 172.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -54.26 -34.42 60.77 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.946 -1.096 . . . . 0.0 113.954 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.6 -41.37 75.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.053 0.941 . . . . 0.0 112.45 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.17 -45.12 93.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.891 0.877 . . . . 0.0 110.684 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.11 -45.59 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 123.956 0.902 . . . . 0.0 110.764 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.03 -35.32 78.07 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.61 1.095 . . . . 0.0 113.086 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.52 -44.87 89.53 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.822 -1.174 . . . . 0.0 111.571 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -67.89 -32.47 72.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.664 0.786 . . . . 0.0 112.736 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.32 -47.58 85.41 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.413 1.485 . . . . 0.0 110.899 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.75 -33.51 76.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.18 63.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.861 0.755 . . . . 0.0 113.0 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -72.46 -45.57 58.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.389 -0.819 . . . . 0.0 112.911 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -62.49 -17.35 59.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.685 0.794 . . . . 0.0 113.119 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.67 -18.59 60.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.359 1.464 . . . . 0.0 113.9 172.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 35' ' ' VAL . 36.4 m-85 -129.24 3.57 5.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.657 1.583 . . . . 0.0 113.328 -178.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -74.16 65.07 1.12 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.285 1.834 . . . . 0.0 110.238 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -57.26 -19.37 21.24 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -166.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 p30 -118.72 0.18 11.41 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.878 1.271 . . . . 0.0 113.537 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 7.73 82.06 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.807 1.194 . . . . 0.0 115.812 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -77.22 -4.38 44.48 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.827 1.813 . . . . 0.0 114.036 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.84 28.81 20.15 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.436 1.017 . . . . 0.0 113.521 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -143.09 150.92 40.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.615 1.166 . . . . 0.0 113.142 -171.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.8 pt -124.29 168.35 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.361 1.865 . . . . 0.0 110.536 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -84.38 160.2 20.69 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.158 0.98 . . . . 0.0 112.953 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.59 -20.15 63.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 113.212 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -74.88 -46.77 33.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.154 0.888 . . . . 0.0 111.371 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.4 -22.3 62.76 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.589 1.156 . . . . 0.0 113.23 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.95 -61.36 1.31 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.511 1.524 . . . . 0.0 112.24 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.1 -23.61 71.42 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.506 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -70.23 -40.29 74.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.519 1.16 . . . . 0.0 111.102 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.295 1.8 m -72.23 -31.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 121.455 -0.778 . . . . 0.0 111.984 173.51 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtp -64.56 -45.52 86.72 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.508 1.049 . . . . 0.0 111.934 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -64.21 -27.57 69.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.581 0.752 . . . . 0.0 112.65 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -67.7 -25.17 65.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.912 0.885 . . . . 0.0 113.255 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -85.87 1.32 50.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.588 1.555 . . . . 0.0 113.049 169.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.9 -3.44 79.86 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.294 1.426 . . . . 0.0 115.19 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.01 120.49 26.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.062 1.431 . . . . 0.0 109.738 172.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -107.53 84.1 1.77 Allowed Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.531 0.732 . . . . 0.0 110.832 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -66.87 151.56 82.07 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.147 2.565 . . . . 0.0 111.114 174.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -72.64 159.17 34.29 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.103 -0.998 . . . . 0.0 111.109 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -68.46 -27.16 65.91 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.277 -1.514 . . . . 0.0 112.671 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.28 -38.53 68.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.639 0.776 . . . . 0.0 112.3 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.24 -40.99 94.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.067 1.347 . . . . 0.0 111.825 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 mt -60.61 -48.17 82.96 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.002 0.921 . . . . 0.0 111.373 170.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.27 -39.31 78.91 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.202 0.601 . . . . 0.0 112.052 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.99 -44.61 84.34 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.773 0.829 . . . . 0.0 112.621 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.46 -35.9 82.3 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.153 -0.967 . . . . 0.0 112.577 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.0 mt -71.37 -31.21 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 121.208 -0.933 . . . . 0.0 111.483 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -64.68 -28.26 69.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.158 1.345 . . . . 0.0 112.639 172.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -75.8 -50.11 16.15 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.82 0.736 . . . . 0.0 112.165 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.49 -49.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -173.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -99.65 48.47 0.94 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 0.0 112.885 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.37 65.04 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.87 -3.11 58.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.819 1.248 . . . . 0.0 114.348 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 41.29 61.59 Favored Glycine 0 CA--C 1.538 1.472 0 O-C-N 121.049 -1.032 . . . . 0.0 115.057 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -76.29 -24.41 54.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.361 1.465 . . . . 0.0 113.165 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.81 14.63 78.2 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.621 1.581 . . . . 0.0 114.825 -172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 p -138.57 158.25 44.61 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.126 1.37 . . . . 0.0 113.523 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.91 136.25 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.916 2.086 . . . . 0.0 108.816 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.58 157.7 19.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.429 0.692 . . . . 0.0 111.661 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -47.74 -55.19 18.19 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.61 -21.95 28.86 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.938 1.759 . . . . 0.0 113.377 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -72.11 -40.65 68.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.745 0.702 . . . . 0.0 111.209 172.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.68 -41.5 90.8 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.515 -0.741 . . . . 0.0 111.97 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.01 -21.4 63.55 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -35.36 78.77 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.875 0.761 . . . . 0.0 113.008 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.0 ptp -85.45 -30.44 23.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.952 0.796 . . . . 0.0 112.484 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -65.06 -31.58 72.86 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.631 -0.668 . . . . 0.0 111.953 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.39 81.66 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.462 0.705 . . . . 0.0 112.273 169.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -71.51 -40.41 70.16 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.062 1.345 . . . . 0.0 112.002 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -67.1 -3.23 6.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.742 1.617 . . . . 0.0 113.972 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.6 mtm -117.43 31.81 6.51 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 114.001 172.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -71.11 168.58 16.86 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.9 -1.125 . . . . 0.0 111.485 167.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -138.78 177.13 8.11 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.369 1.468 . . . . 0.0 112.091 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.261 44.7 p 55.32 -90.94 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 128.554 2.741 . . . . 0.0 114.244 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.27 -18.79 48.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.403 1.481 . . . . 0.0 113.464 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t 61.34 121.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.132 2.573 . . . . 0.0 116.12 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.07 -45.15 87.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.214 -0.929 . . . . 0.0 112.145 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.22 -32.66 73.03 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.186 -0.946 . . . . 0.0 112.797 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.94 -47.94 70.12 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.577 0.751 . . . . 0.0 111.254 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -60.47 -44.08 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.515 1.126 . . . . 0.0 110.381 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -59.99 -44.8 94.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.536 0.734 . . . . 0.0 112.346 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.87 -39.39 69.68 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.62 76.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.103 0.961 . . . . 0.0 112.628 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.34 -45.45 76.34 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.022 -1.049 . . . . 0.0 111.841 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -60.19 -26.4 66.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.0 t -60.57 -34.93 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.05 1.34 . . . . 0.0 112.382 169.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.47 -18.15 27.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.12 1.368 . . . . 0.0 114.184 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -58.7 120.11 8.34 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.479 1.111 . . . . 0.0 111.469 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -69.33 -32.36 71.41 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.667 1.587 . . . . 0.0 113.456 -172.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -122.52 -13.56 7.97 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.94 19.76 74.57 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.002 1.287 . . . . 0.0 113.47 -170.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -98.21 3.23 48.94 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.565 1.546 . . . . 0.0 114.786 -170.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.85 20.82 57.25 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 119.59 1.086 . . . . 0.0 114.13 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.68 164.44 31.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.92 1.288 . . . . 0.0 110.946 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.76 153.0 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.864 1.666 . . . . 0.0 109.227 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 m -76.0 139.9 41.72 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.329 -1.482 . . . . 0.0 111.142 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.25 83.44 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.067 -1.021 . . . . 0.0 112.835 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.99 -29.5 70.43 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 174.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -75.75 -44.87 39.56 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.364 -0.835 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' A' ' 108' ' ' VAL . 16.5 tp -68.13 -36.95 80.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.28 0.946 . . . . 0.0 111.139 173.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -63.32 -36.89 85.17 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.392 0.996 . . . . 0.0 112.039 170.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.7 -65.03 0.75 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.545 170.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 105' ' ' LEU . 4.0 m -56.67 -41.37 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 120.543 1.519 . . . . 0.0 112.413 -175.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.1 mmt -74.63 -11.34 60.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 p -119.59 -1.01 10.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.942 1.297 . . . . 0.0 113.756 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.6 -29.99 8.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.588 1.555 . . . . 0.0 113.516 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.41 143.79 50.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.645 1.178 . . . . 0.0 110.767 -168.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.02 -145.84 34.14 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.732 0.629 . . . . 0.0 114.289 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.21 -9.65 58.46 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.383 1.473 . . . . 0.0 114.738 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm 54.55 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.102 2.561 . . . . 0.0 114.378 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.97 149.1 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.751 1.22 . . . . 0.0 112.064 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.4 171.83 10.54 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 122.131 0.967 . . . . 0.0 111.907 173.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -56.88 -48.99 76.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.689 1.996 . . . . 0.0 115.369 -174.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -81.77 -26.78 34.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.955 1.302 . . . . 0.0 112.321 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -44.73 77.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.058 1.343 . . . . 0.0 112.019 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.94 -30.73 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.271 0.628 . . . . 0.0 111.436 172.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.11 -38.77 82.62 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.02 -1.05 . . . . 0.0 112.078 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.56 -36.37 76.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.296 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.3 ttm -64.31 -49.34 72.15 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.821 0.849 . . . . 0.0 111.06 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.88 -45.26 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 119.343 0.974 . . . . 0.0 110.485 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -56.58 -36.91 69.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.817 1.247 . . . . 0.0 113.534 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -99.4 -23.31 15.18 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.58 -32.36 28.52 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 119.211 0.914 . . . . 0.0 113.162 174.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -76.71 65.01 2.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.574 1.55 . . . . 0.0 111.805 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 pt -63.12 -22.1 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.113 0.965 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -77.08 -17.47 58.69 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.588 1.155 . . . . 0.0 113.214 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.1 30.4 75.56 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.763 1.173 . . . . 0.0 113.313 -175.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -140.2 26.54 2.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.257 1.423 . . . . 0.0 113.174 -168.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.6 24.53 76.03 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 120.811 -1.181 . . . . 0.0 114.123 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -121.36 90.76 3.38 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.385 1.474 . . . . 0.0 108.996 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.5 m -73.39 101.4 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.257 1.023 . . . . 0.0 110.252 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.34 87.22 6.16 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.908 0.861 . . . . 0.0 110.534 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 142' ' ' VAL . 5.1 p90 -59.66 -31.35 69.46 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.717 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 -40.06 95.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 121.054 1.752 . . . . 0.0 112.239 -174.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.69 -36.38 70.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.133 -0.979 . . . . 0.0 111.768 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.07 -40.37 94.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.473 1.109 . . . . 0.0 113.264 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 138' ' ' TYR . 2.6 t -59.42 -47.63 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 119.378 0.99 . . . . 0.0 109.454 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -38.6 91.51 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.321 -174.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.5 ttp -66.28 -50.16 64.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.938 1.295 . . . . 0.0 112.756 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.57 -45.12 95.11 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.013 0.824 . . . . 0.0 111.48 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.0 p -84.79 8.68 16.4 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.57 136.92 56.8 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.035 -1.041 . . . . 0.0 112.833 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.395 1.878 . . . . 0.0 111.863 -175.824 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 CA-C-O 119.885 -0.397 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -68.01 160.45 48.52 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.037 3.158 . . . . 0.0 112.907 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 177.84 -157.35 21.62 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.291 0.948 . . . . 0.0 113.763 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -157.33 177.2 11.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.884 1.674 . . . . 0.0 111.466 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -56.71 -24.91 52.68 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -53.25 -35.67 60.26 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.833 1.197 . . . . 0.0 113.483 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.33 -41.29 96.79 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.812 1.245 . . . . 0.0 112.94 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -83.28 -38.31 22.32 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.074 0.95 . . . . 0.0 112.053 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.25 -45.83 79.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.679 1.592 . . . . 0.0 111.776 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.8 -29.21 69.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.8 m -95.75 -29.49 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.294 1.038 . . . . 0.0 112.451 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.1 m -57.16 -41.05 78.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.369 1.068 . . . . 0.0 110.636 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.54 85.24 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.734 -0.603 . . . . 0.0 110.739 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 58.7 mt -62.75 -38.37 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.875 -1.141 . . . . 0.0 112.235 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.86 -40.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.074 0.95 . . . . 0.0 110.742 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.65 -39.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.468 1.107 . . . . 0.0 111.479 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -56.88 -45.12 82.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.339 1.056 . . . . 0.0 111.378 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.2 -56.28 23.8 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.749 1.22 . . . . 0.0 111.215 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.51 75.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.63 -50.08 64.16 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.665 0.386 . . . . 0.0 111.979 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -65.96 -33.04 74.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.426 -0.796 . . . . 0.0 112.002 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -57.89 -41.18 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.812 1.245 . . . . 0.0 111.007 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.9 t80 -71.03 -39.71 72.16 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.49 -33.9 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.172 -0.955 . . . . 0.0 111.891 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.67 -49.08 77.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.991 0.916 . . . . 0.0 111.454 170.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.64 -35.83 73.14 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.611 0.764 . . . . 0.0 112.196 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -66.56 -48.57 69.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.946 0.899 . . . . 0.0 112.679 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 62.0 pttt -79.05 -27.24 43.11 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.8 t -65.86 141.08 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.287 1.035 . . . . 0.0 111.933 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -66.55 142.03 57.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.341 1.456 . . . . 0.0 112.451 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 16.5 pttm . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.88 2.072 . . . . 0.0 112.115 -171.572 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -70.64 -45.06 65.88 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.113 0.965 . . . . 0.0 111.869 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -45.95 92.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.29 0.636 . . . . 0.0 110.59 172.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.12 -45.48 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.073 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.72 74.7 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.765 1.166 . . . . 0.0 112.975 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.46 -46.65 75.67 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.113 -0.992 . . . . 0.0 111.573 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -65.69 -36.97 85.15 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.438 0.695 . . . . 0.0 112.279 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.21 -52.3 64.92 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.769 1.627 . . . . 0.0 110.936 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.42 -52.08 63.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.464 0.705 . . . . 0.0 111.62 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.4 75.67 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -71.05 -47.6 57.57 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.454 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -62.44 -28.32 69.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.638 1.175 . . . . 0.0 113.153 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.25 -19.39 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.807 1.243 . . . . 0.0 113.854 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' CD2' HG22 ' A' ' 35' ' ' VAL . 42.4 m-85 -120.59 4.27 10.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 112.817 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.9 t0 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 120.706 -1.246 . . . . 0.0 110.202 172.172 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.63 26.55 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.017 1.294 . . . . 0.0 114.229 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 p -140.63 158.19 44.35 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.916 1.358 . . . . 0.0 114.302 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -135.63 171.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 127.527 2.331 . . . . 0.0 110.516 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.4 p -83.7 159.06 21.59 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 122.421 1.105 . . . . 0.0 112.925 169.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.419 ' HB ' HD13 ' A' ' 52' ' ' ILE . 36.0 p -60.41 -28.25 68.11 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.449 1.099 . . . . 0.0 112.54 170.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.29 -40.63 74.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.815 1.246 . . . . 0.0 112.547 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.97 -20.63 61.0 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.12 -58.33 4.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.907 1.231 . . . . 0.0 112.096 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.99 -26.99 73.27 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.179 -0.95 . . . . 0.0 113.388 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -70.29 -38.96 75.13 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.004 0.902 . . . . 0.0 111.078 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 19' ' ' PHE . 52.9 t -64.04 -45.35 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.324 1.049 . . . . 0.0 110.529 171.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.6 mtp -57.06 -41.46 78.77 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.766 1.166 . . . . 0.0 112.136 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.58 -22.61 65.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.834 0.853 . . . . 0.0 113.028 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 t -67.89 -33.12 74.11 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.327 0.967 . . . . 0.0 111.866 169.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.14 2.64 17.38 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.559 1.144 . . . . 0.0 112.818 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.19 -1.15 86.11 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.587 1.565 . . . . 0.0 115.151 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -90.12 121.01 31.78 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.844 1.322 . . . . 0.0 110.629 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -101.06 96.15 5.46 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.572 0.749 . . . . 0.0 110.89 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.8 155.12 53.93 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.095 3.197 . . . . 0.0 113.114 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.53 149.28 38.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.452 1.101 . . . . 0.0 110.38 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -59.71 -34.47 72.94 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.636 -1.29 . . . . 0.0 112.837 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.31 88.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.064 0.946 . . . . 0.0 112.834 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.74 -46.64 78.1 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.744 -0.597 . . . . 0.0 110.866 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.36 -47.61 83.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.948 0.499 . . . . 0.0 111.431 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -60.85 -41.65 96.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.57 -42.33 91.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.57 0.748 . . . . 0.0 112.656 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.5 -42.65 87.08 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.373 -0.829 . . . . 0.0 111.852 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 ' HB ' ' A' ' 29' ' ' THR . 60.3 mt -68.21 -31.11 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 123.465 0.706 . . . . 0.0 111.762 177.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.7 -36.68 72.3 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.271 1.396 . . . . 0.0 112.335 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -85.86 -41.15 15.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.673 0.789 . . . . 0.0 112.702 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.15 -46.52 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.466 1.106 . . . . 0.0 112.801 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -104.38 45.31 0.97 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.518 1.527 . . . . 0.0 112.587 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.19 -23.8 64.28 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.02 -1.05 . . . . 0.0 113.527 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -83.79 -8.05 59.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.775 1.23 . . . . 0.0 114.084 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.21 35.1 69.95 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.653 1.12 . . . . 0.0 115.091 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -78.13 -18.49 55.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 113.555 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.81 15.37 81.36 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.145 1.355 . . . . 0.0 114.462 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.3 p -135.89 159.36 41.92 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.194 1.398 . . . . 0.0 113.756 -173.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.2 mt -137.94 137.85 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 127.242 2.217 . . . . 0.0 109.039 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.61 157.24 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.469 0.708 . . . . 0.0 111.577 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -42.38 -52.64 9.93 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.41 -28.79 26.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.956 1.771 . . . . 0.0 114.301 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -29.39 64.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.146 -0.971 . . . . 0.0 112.365 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -69.92 -47.26 63.15 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 0.0 111.212 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.06 -32.48 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.032 -1.043 . . . . 0.0 112.676 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -51.37 -47.23 62.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.412 1.485 . . . . 0.0 112.347 172.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.2 ptp -80.8 -34.07 34.32 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.61 0.641 . . . . 0.0 112.235 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -63.86 -33.11 74.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.391 0.541 . . . . 0.0 112.193 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 123.525 0.73 . . . . 0.0 111.318 169.442 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.5 -35.97 78.24 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.612 -0.68 . . . . 0.0 112.392 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.41 -45.86 85.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.876 0.87 . . . . 0.0 111.428 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -65.52 -45.83 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.674 1.19 . . . . 0.0 110.982 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -60.55 -39.83 89.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.758 1.163 . . . . 0.0 112.373 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -68.9 -45.52 70.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.752 0.705 . . . . 0.0 111.839 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.44 80.65 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.158 0.983 . . . . 0.0 112.833 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.36 -43.85 72.75 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.219 -0.926 . . . . 0.0 112.41 172.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -58.87 -26.69 64.48 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.69 -32.92 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.191 1.396 . . . . 0.0 112.328 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 14.4 m-85 -92.99 -24.26 18.42 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.903 1.281 . . . . 0.0 113.96 176.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.0 t0 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.349 1.06 . . . . 0.0 110.252 175.432 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.35 0 N-CA-C 113.609 0.204 . . . . 0.0 113.609 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 162.33 38.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -132.65 140.84 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.584 1.954 . . . . 0.0 108.613 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -66.21 142.72 57.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.48 -1.387 . . . . 0.0 111.252 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.4 95.41 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.001 -1.062 . . . . 0.0 112.831 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.07 -28.56 68.93 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.473 0.709 . . . . 0.0 112.869 174.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.95 -49.53 36.67 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.875 0.87 . . . . 0.0 111.163 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.63 -40.49 95.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.012 0.824 . . . . 0.0 110.825 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -58.01 -40.73 81.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.26 1.024 . . . . 0.0 112.5 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -59.02 -59.14 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.584 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.561 HG13 HD12 ' A' ' 112' ' ' LEU . 1.6 t -59.31 -46.05 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.982 1.265 . . . . 0.0 111.202 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.5 mmt -66.88 -14.6 62.91 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.0 p -120.33 8.57 10.85 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -106.61 -45.28 4.27 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.206 1.402 . . . . 0.0 111.398 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.561 HD12 HG13 ' A' ' 108' ' ' VAL . 15.0 mt -116.11 157.53 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 111.394 -167.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.02 -148.45 50.95 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 121.721 0.623 . . . . 0.0 113.878 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -71.44 -12.92 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.085 1.754 . . . . 0.0 114.739 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.2 129.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.004 2.521 . . . . 0.0 112.54 -166.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.59 150.96 26.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.279 0.632 . . . . 0.0 109.446 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.95 159.82 29.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.954 0.902 . . . . 0.0 110.717 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -49.83 -46.5 51.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.321 1.448 . . . . 0.0 114.055 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -79.99 -21.7 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 0.0 113.007 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.6 -41.13 21.97 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.809 1.643 . . . . 0.0 111.789 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.37 -34.69 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.706 -0.621 . . . . 0.0 111.136 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.21 -44.09 84.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.446 0.698 . . . . 0.0 111.255 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.36 -40.56 74.73 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.643 0.777 . . . . 0.0 111.617 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.36 -51.0 69.92 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.871 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.98 -34.31 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 120.53 1.514 . . . . 0.0 111.752 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -59.42 -28.7 67.17 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.625 1.102 . . . . 0.0 113.591 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.27 -22.54 8.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.637 1.575 . . . . 0.0 113.829 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -75.17 -34.24 61.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.907 2.083 . . . . 0.0 112.506 169.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.3 t0 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 125.134 1.374 . . . . 0.0 110.439 169.32 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.253 0 N-CA-C 113.823 0.289 . . . . 0.0 113.823 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -129.45 104.22 7.35 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.709 1.604 . . . . 0.0 110.196 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.488 HG13 ' HB1' ' A' ' 128' ' ' ALA . 8.7 t -73.21 131.09 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.86 89.11 3.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 122.386 1.089 . . . . 0.0 111.652 170.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -62.36 -27.8 69.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.238 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.79 -27.84 69.17 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.387 0.994 . . . . 0.0 113.174 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -86.54 -37.91 17.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -61.91 -41.86 98.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.364 1.066 . . . . 0.0 112.804 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.6 p -60.15 -42.44 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.332 1.053 . . . . 0.0 112.084 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -64.96 -43.3 93.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 111.004 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.6 ttp -61.41 -45.56 93.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.622 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.8 mtm -66.97 -38.98 87.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.482 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 63.5 tp60 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -55.17 -49.27 72.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 0.0 111.987 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.452 ' HA ' HD13 ' A' ' 112' ' ' LEU . 18.0 tt0 -71.07 -19.45 62.48 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.7 m -101.95 -32.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.637 1.175 . . . . 0.0 112.334 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.7 m -59.49 -39.66 84.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.564 1.146 . . . . 0.0 111.259 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.84 74.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.786 -0.572 . . . . 0.0 111.213 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.5 mt -61.29 -40.44 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.439 0.696 . . . . 0.0 111.442 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.93 -43.85 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.619 1.168 . . . . 0.0 111.153 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.44 -36.7 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.722 0.809 . . . . 0.0 110.509 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.07 -41.91 97.17 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 111.889 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -58.62 -50.54 73.46 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.559 0.744 . . . . 0.0 111.131 173.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.2 96.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.755 0.822 . . . . 0.0 112.439 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.21 -52.36 35.09 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -66.03 -26.8 67.68 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.491 -0.756 . . . . 0.0 112.648 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.34 -44.76 86.71 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.974 0.807 . . . . 0.0 111.1 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.69 -34.54 78.44 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 CA--C 1.544 0.72 0 CA-C-N 119.444 1.02 . . . . 0.0 113.054 176.823 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -73.03 -42.45 63.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.487 1.115 . . . . 0.0 112.193 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -67.41 -39.76 85.53 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.679 -0.638 . . . . 0.0 112.405 173.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.51 -44.92 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.195 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.93 89.03 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.422 1.01 . . . . 0.0 113.212 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.42 -46.65 79.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.201 -0.937 . . . . 0.0 111.997 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -68.52 -33.19 73.69 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.532 0.733 . . . . 0.0 112.757 175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.47 -48.37 71.87 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.271 1.428 . . . . 0.0 110.898 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.65 -55.55 22.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.592 0.757 . . . . 0.0 111.311 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.29 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -75.66 -52.12 11.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.108 0.867 . . . . 0.0 111.801 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.8 p -64.35 -20.55 66.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -28.23 27.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.981 1.712 . . . . 0.0 112.924 168.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CD2' HG22 ' A' ' 35' ' ' VAL . 74.1 m-85 -116.7 1.48 12.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.006 1.322 . . . . 0.0 113.636 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 t0 . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 121.989 0.9 . . . . 0.0 110.161 173.645 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 29.51 38.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.287 0.946 . . . . 0.0 113.587 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -139.86 159.83 41.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.4 1.48 . . . . 0.0 112.643 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 pt -133.2 172.03 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 126.646 1.978 . . . . 0.0 110.608 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -84.26 161.36 20.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.518 1.151 . . . . 0.0 112.823 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 p -61.6 -23.99 66.38 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.44 1.096 . . . . 0.0 113.033 169.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -84.01 -33.69 24.49 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.0 -23.32 63.12 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.827 170.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.97 -59.14 3.3 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.221 1.373 . . . . 0.0 112.128 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.62 69.08 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.256 -0.902 . . . . 0.0 113.275 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 m -76.05 -36.51 59.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.988 0.915 . . . . 0.0 111.791 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 19' ' ' PHE . 53.0 t -63.83 -39.74 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.79 0.836 . . . . 0.0 110.467 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.0 mtp -63.92 -42.11 97.48 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.18 -0.95 . . . . 0.0 112.1 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.6 -36.48 78.67 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 121.279 -0.888 . . . . 0.0 112.582 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -63.34 -36.26 83.12 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.872 0.869 . . . . 0.0 112.073 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -81.17 25.72 0.47 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.207 1.803 . . . . 0.0 113.531 169.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.54 15.56 77.51 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 168.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -141.48 128.63 20.91 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.296 1.548 . . . . 0.0 112.409 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -103.52 94.33 5.89 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.128 0.971 . . . . 0.0 111.506 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.7 156.33 66.43 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.677 2.918 . . . . 0.0 112.244 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -76.46 159.71 30.17 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.66 -0.65 . . . . 0.0 111.659 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -38.89 82.77 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.297 -0.877 . . . . 0.0 111.986 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.0 83.68 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.882 0.873 . . . . 0.0 112.334 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.4 -42.12 88.33 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.456 -0.778 . . . . 0.0 111.91 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.82 -47.75 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.653 -0.655 . . . . 0.0 111.226 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.53 -41.37 89.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.541 0.609 . . . . 0.0 112.168 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.38 -39.43 93.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.941 0.896 . . . . 0.0 113.068 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -70.91 -42.28 70.11 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.977 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -68.01 -28.75 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.26 1.024 . . . . 0.0 111.883 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -58.96 -33.17 70.34 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.078 1.308 . . . . 0.0 112.987 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -85.45 -46.78 10.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.412 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -68.18 -40.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 0.0 113.409 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -115.18 48.07 1.22 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.173 1.789 . . . . 0.0 111.837 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.77 62.75 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.085 -1.009 . . . . 0.0 113.229 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -78.17 -13.81 59.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.054 1.341 . . . . 0.0 114.045 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.56 29.62 69.58 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.817 1.199 . . . . 0.0 115.35 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -77.93 -16.93 57.8 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 118.725 1.262 . . . . 0.0 113.802 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.06 18.41 74.75 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.563 1.554 . . . . 0.0 114.514 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -137.35 160.17 39.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.887 1.275 . . . . 0.0 114.055 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.3 mt -142.53 136.15 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.879 2.072 . . . . 0.0 109.208 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.63 157.35 18.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.345 0.658 . . . . 0.0 111.529 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.45 -55.65 11.49 Favored Pre-proline 0 CA--C 1.547 0.852 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.81 -24.08 25.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.971 1.781 . . . . 0.0 113.624 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.11 -34.11 65.97 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.475 -0.766 . . . . 0.0 111.618 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.08 -40.41 90.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.523 -0.735 . . . . 0.0 112.417 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.42 -23.02 65.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -58.63 -37.73 76.53 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.891 0.769 . . . . 0.0 112.83 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.85 -31.97 25.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.13 0.572 . . . . 0.0 112.106 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -63.97 -34.99 79.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.124 0.569 . . . . 0.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 124.096 0.958 . . . . 0.0 112.997 171.675 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -39.28 92.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.806 0.842 . . . . 0.0 111.279 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -47.34 59.4 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.656 1.182 . . . . 0.0 111.728 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.64 -44.9 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.093 0.957 . . . . 0.0 110.604 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -63.79 -42.41 97.75 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.0 0.818 . . . . 0.0 111.985 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.96 -44.05 90.64 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.5 0.591 . . . . 0.0 111.996 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.59 83.5 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.4 1.08 . . . . 0.0 112.778 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.65 -43.54 76.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.124 -0.985 . . . . 0.0 112.077 172.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.81 -26.81 67.58 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.487 -0.758 . . . . 0.0 112.981 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.49 -31.3 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.046 0.938 . . . . 0.0 112.541 169.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 12.8 m-85 -92.16 -24.64 19.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.498 1.119 . . . . 0.0 113.83 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.2 t0 . . . . . 0 N--CA 1.475 0.8 0 CA-C-N 119.362 0.983 . . . . 0.0 109.702 176.334 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 CA-C-O 120.965 0.203 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 162.0 40.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.463 1.105 . . . . 0.0 112.524 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.03 143.19 40.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 127.219 2.208 . . . . 0.0 107.936 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 150.95 43.48 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.884 -1.76 . . . . 0.0 112.568 175.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.913 -1.117 . . . . 0.0 112.345 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.28 -33.07 73.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.237 0.615 . . . . 0.0 111.905 173.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.97 -44.62 69.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.054 1.342 . . . . 0.0 112.796 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.01 -40.68 71.67 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.944 0.793 . . . . 0.0 110.861 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -59.01 -39.92 83.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.986 0.812 . . . . 0.0 112.002 173.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -57.32 -62.79 1.52 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 118.515 0.598 . . . . 0.0 110.672 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.724 HG23 HD12 ' A' ' 112' ' ' LEU . 14.8 p -64.83 -36.37 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.03 0.832 . . . . 0.0 112.834 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -69.44 -12.16 61.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 p -121.28 3.2 10.34 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.669 1.188 . . . . 0.0 113.832 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -109.09 -39.52 5.25 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.389 1.875 . . . . 0.0 112.494 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.724 HD12 HG23 ' A' ' 108' ' ' VAL . 27.7 mt -125.42 141.04 52.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.508 1.123 . . . . 0.0 111.248 -169.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.26 -146.88 30.94 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.14 -11.91 61.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.566 1.546 . . . . 0.0 114.92 -171.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.88 99.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.087 2.555 . . . . 0.0 114.435 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.45 150.85 38.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.772 1.229 . . . . 0.0 112.35 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 160.3 30.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.729 0.812 . . . . 0.0 110.161 169.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.33 -39.31 86.61 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.103 -0.998 . . . . 0.0 113.363 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -71.86 -33.5 68.46 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.943 -1.098 . . . . 0.0 112.439 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -40.77 66.04 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.962 1.305 . . . . 0.0 111.703 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.79 -33.65 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.434 -0.791 . . . . 0.0 111.582 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.61 -37.87 83.12 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.164 -0.96 . . . . 0.0 111.838 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -59.3 -38.79 81.12 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.313 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.1 ttm -59.93 -53.62 55.78 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.872 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.2 mm -58.51 -37.46 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 120.931 1.696 . . . . 0.0 111.585 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.0 ttp85 -57.26 -26.8 61.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.095 1.358 . . . . 0.0 114.2 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.79 -20.93 8.04 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.471 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -75.38 -33.69 61.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.027 2.131 . . . . 0.0 112.447 170.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 124.884 1.274 . . . . 0.0 109.885 168.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.265 0 N-CA-C 114.604 0.602 . . . . 0.0 114.604 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.99 104.28 7.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.107 1.363 . . . . 0.0 110.779 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.471 HG13 ' HB1' ' A' ' 128' ' ' ALA . 5.8 t -72.88 128.46 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.112 0.565 . . . . 0.0 110.071 171.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -98.52 94.85 6.92 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.375 -0.828 . . . . 0.0 109.321 167.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 142' ' ' VAL . 7.5 p90 -59.75 -29.12 67.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.824 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.63 -38.06 80.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.07 1.304 . . . . 0.0 112.672 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -74.65 -38.54 62.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.542 0.737 . . . . 0.0 111.309 170.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.04 -42.52 94.25 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.48 1.112 . . . . 0.0 113.38 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 138' ' ' TYR . 3.0 t -58.2 -47.53 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 119.471 1.032 . . . . 0.0 109.355 176.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -66.94 -36.16 81.61 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.87 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.3 ttp -67.26 -48.16 68.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.002 1.321 . . . . 0.0 112.709 171.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.8 mtm -61.54 -42.61 99.08 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.129 0.877 . . . . 0.0 111.761 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.478 0.948 0 C-N-CA 125.494 1.518 . . . . 0.0 114.542 -179.216 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.8 tp60 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -55.51 -46.05 77.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.041 1.337 . . . . 0.0 112.069 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.419 ' HA ' HD13 ' A' ' 112' ' ' LEU . 46.9 tt0 -66.63 -24.77 66.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 6.1 m -99.87 -31.66 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.274 1.03 . . . . 0.0 112.118 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.5 m -56.79 -40.58 76.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.774 1.23 . . . . 0.0 111.117 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.0 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.359 0.663 . . . . 0.0 110.839 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.99 -38.16 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.301 -0.874 . . . . 0.0 111.849 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.62 -43.45 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.92 1.288 . . . . 0.0 111.023 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.49 -41.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -55.1 -49.58 71.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.121 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -60.46 -52.79 63.7 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.149 1.38 . . . . 0.0 111.834 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.1 69.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.2 t80 -69.95 -49.51 51.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -66.99 -29.34 69.16 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.182 1.355 . . . . 0.0 111.202 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -60.21 -43.11 96.25 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.469 -0.769 . . . . 0.0 110.857 168.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 91.7 t80 -66.01 -39.48 90.29 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.546 0.801 0 O-C-N 121.325 -0.859 . . . . 0.0 111.593 171.827 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -69.73 -43.3 72.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.284 1.034 . . . . 0.0 112.505 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.52 -45.32 91.17 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.448 0.699 . . . . 0.0 111.143 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -45.05 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.999 0.919 . . . . 0.0 110.474 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.9 -36.29 83.89 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.883 0.765 . . . . 0.0 113.037 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.33 -45.79 79.03 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.251 -0.906 . . . . 0.0 111.902 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -65.38 -34.28 77.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.468 0.707 . . . . 0.0 112.669 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -54.32 -50.94 66.21 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.572 1.549 . . . . 0.0 111.641 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.54 -50.14 64.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.663 0.785 . . . . 0.0 111.666 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.0 74.22 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -74.66 -49.22 22.21 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.013 0.824 . . . . 0.0 112.258 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -60.11 -24.45 64.66 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.315 1.046 . . . . 0.0 112.7 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.13 -21.0 7.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.923 1.689 . . . . 0.0 114.593 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' HG12 ' A' ' 35' ' ' VAL . 24.9 m-85 -129.77 7.44 5.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.553 1.541 . . . . 0.0 113.108 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 C--O 1.237 0.439 0 CA-C-O 122.808 1.29 . . . . 0.0 111.359 177.708 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.88 32.56 9.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.394 0.997 . . . . 0.0 114.915 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.0 p -139.75 152.97 47.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.038 1.419 . . . . 0.0 113.651 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.05 171.25 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 126.822 2.049 . . . . 0.0 110.656 173.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.1 p -84.54 155.55 22.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 122.224 1.012 . . . . 0.0 112.459 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.469 ' HB ' HD13 ' A' ' 52' ' ' ILE . 40.0 p -62.94 -25.65 68.44 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.921 0.888 . . . . 0.0 112.401 172.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -75.41 -38.0 60.1 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.47 -12.83 59.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -43.53 -57.51 3.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.819 1.248 . . . . 0.0 111.527 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.22 -21.9 74.18 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.665 -0.519 . . . . 0.0 114.204 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.01 -41.33 71.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.464 1.132 . . . . 0.0 110.193 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.298 1.4 m -71.35 -35.78 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.457 -0.783 . . . . 0.0 112.296 175.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.12 -38.24 70.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.177 1.353 . . . . 0.0 112.784 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -67.86 -23.02 65.09 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -69.53 -30.43 68.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.985 0.811 . . . . 0.0 112.087 169.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.17 2.76 38.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.778 1.231 . . . . 0.0 112.918 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.42 1.01 90.29 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.272 1.415 . . . . 0.0 115.845 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -91.62 125.46 36.36 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.482 1.641 . . . . 0.0 110.577 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.59 91.36 4.04 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.586 1.154 . . . . 0.0 108.783 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.25 151.8 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.899 3.066 . . . . 0.0 112.449 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -79.77 164.64 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.51 -35.56 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.927 -1.108 . . . . 0.0 112.049 172.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.17 82.98 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.953 0.901 . . . . 0.0 112.359 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.92 -47.17 86.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.436 0.694 . . . . 0.0 110.914 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.82 -49.29 78.08 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.682 -0.636 . . . . 0.0 112.46 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.88 -39.64 95.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.289 0.95 . . . . 0.0 112.02 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.94 -41.6 97.58 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.515 0.726 . . . . 0.0 112.302 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.6 mtm -68.27 -43.02 78.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.509 -0.744 . . . . 0.0 112.142 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 HD13 ' HB ' ' A' ' 29' ' ' THR . 56.7 mt -66.36 -26.6 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 118.881 0.764 . . . . 0.0 111.954 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.19 -25.2 58.62 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.732 -1.23 . . . . 0.0 112.796 173.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -82.25 -17.21 46.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 13.0 m -121.17 -22.67 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -169.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.52 46.27 1.7 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.334 0.97 . . . . 0.0 113.362 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.47 -24.98 64.04 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.148 -0.97 . . . . 0.0 113.405 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -83.08 -8.08 59.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.946 1.298 . . . . 0.0 114.369 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.65 39.34 56.04 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -75.86 -23.08 55.64 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.932 1.293 . . . . 0.0 112.739 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.71 18.99 79.03 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 126.879 2.18 . . . . 0.0 115.088 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -135.4 157.88 45.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.127 1.371 . . . . 0.0 113.518 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 mt -139.8 137.62 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 127.011 2.124 . . . . 0.0 108.611 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.57 159.22 18.67 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.683 0.674 . . . . 0.0 111.722 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -48.73 -56.22 16.06 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.36 -21.33 30.86 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.945 1.764 . . . . 0.0 113.102 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -41.16 68.47 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.435 0.561 . . . . 0.0 111.307 173.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -60.35 -39.99 89.13 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.15 -0.969 . . . . 0.0 112.18 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.34 -22.54 65.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -38.62 87.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.728 . . . . 0.0 112.645 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.88 -32.23 25.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.721 -0.612 . . . . 0.0 111.915 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mmm -64.77 -36.93 85.89 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.697 -0.627 . . . . 0.0 112.465 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 123.145 0.578 . . . . 0.0 112.103 171.037 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.43 -42.45 98.7 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.678 0.791 . . . . 0.0 111.687 171.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.72 -47.85 61.62 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.6 0.76 . . . . 0.0 111.948 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.79 -46.21 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.954 0.902 . . . . 0.0 110.245 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.47 -42.5 98.88 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.864 0.866 . . . . 0.0 112.507 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -72.51 -39.5 67.57 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.881 0.764 . . . . 0.0 112.712 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.23 79.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.345 1.058 . . . . 0.0 112.421 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.96 -43.89 81.95 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.092 -1.005 . . . . 0.0 112.135 170.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -60.28 -26.27 66.36 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.25 -31.12 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.129 1.372 . . . . 0.0 112.734 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.0 m-85 -91.86 -21.76 20.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.671 1.188 . . . . 0.0 113.922 175.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 124.114 0.966 . . . . 0.0 110.204 176.714 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 N-CA-C 113.69 0.236 . . . . 0.0 113.69 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.4 164.21 34.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.104 1.362 . . . . 0.0 111.665 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.8 mt -131.11 137.67 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.305 1.842 . . . . 0.0 108.837 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 m -64.57 141.86 58.62 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.266 -1.521 . . . . 0.0 111.685 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.96 87.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.329 -0.857 . . . . 0.0 112.598 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.12 72.2 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -75.47 -42.22 53.61 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.923 0.889 . . . . 0.0 112.145 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.4 -40.08 81.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.024 0.829 . . . . 0.0 110.776 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -61.03 -40.53 93.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.47 0.708 . . . . 0.0 111.8 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -56.27 -62.78 1.48 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.535 0.734 . . . . 0.0 110.448 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.804 HG23 HD12 ' A' ' 112' ' ' LEU . 14.4 p -64.66 -36.31 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 119.067 0.849 . . . . 0.0 113.101 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -68.47 -15.06 63.41 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -118.38 -1.69 11.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.704 1.202 . . . . 0.0 114.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -103.56 -37.77 7.42 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.896 1.678 . . . . 0.0 112.595 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.804 HD12 HG23 ' A' ' 108' ' ' VAL . 24.3 mt -123.87 159.57 29.36 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.24 1.416 . . . . 0.0 110.666 -169.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.14 -143.64 39.82 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.935 -0.575 . . . . 0.0 114.031 -170.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.13 -10.26 59.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.568 1.147 . . . . 0.0 113.547 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 60.08 103.18 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.14 2.576 . . . . 0.0 113.057 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.4 153.14 43.55 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.755 0.822 . . . . 0.0 111.82 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 160.66 28.16 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 121.636 -0.665 . . . . 0.0 110.407 169.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.77 -48.18 70.01 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -71.31 -29.79 65.46 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.917 -1.114 . . . . 0.0 112.467 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.84 -42.38 73.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.688 1.195 . . . . 0.0 111.537 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.61 -33.42 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.926 0.891 . . . . 0.0 111.981 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -63.95 -37.67 88.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.77 -1.206 . . . . 0.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -63.0 -25.02 68.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.813 0.845 . . . . 0.0 112.375 171.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.29 -53.56 13.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.097 0.862 . . . . 0.0 109.732 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.1 mm -58.05 -34.58 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.862 0.756 . . . . 0.0 111.284 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -48.84 -46.2 41.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.256 1.422 . . . . 0.0 113.03 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -43.62 12.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.43 0.634 . . . . 0.0 111.976 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.608 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -70.68 -35.6 72.89 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.445 1.898 . . . . 0.0 113.822 -168.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.475 0.816 0 C-N-CA 125.556 1.542 . . . . 0.0 111.888 174.08 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.213 0 N-CA-C 113.579 0.191 . . . . 0.0 113.579 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -126.44 90.42 3.17 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.804 1.642 . . . . 0.0 108.993 -175.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' A' ' 128' ' ' ALA . 22.5 t -64.06 121.06 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 121.851 -0.531 . . . . 0.0 109.719 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -95.02 88.03 5.11 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.885 0.85 . . . . 0.0 109.928 172.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 142' ' ' VAL . 3.9 p90 -59.13 -32.78 70.16 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.505 -174.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -60.05 -41.04 91.48 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.261 1.391 . . . . 0.0 112.178 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -78.82 -30.88 45.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.953 0.901 . . . . 0.0 112.482 171.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.52 -38.94 91.91 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.474 -0.766 . . . . 0.0 112.543 174.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 138' ' ' TYR . 3.1 t -59.38 -49.49 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.166 0.894 . . . . 0.0 109.635 172.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -64.7 -34.17 77.68 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.902 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.78 -48.34 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.401 1.48 . . . . 0.0 113.132 172.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.18 -37.99 87.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.588 1.086 . . . . 0.0 112.027 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 125.382 1.473 . . . . 0.0 114.709 178.779 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.16 -46.2 79.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.144 1.377 . . . . 0.0 112.089 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.439 ' HA ' HD13 ' A' ' 112' ' ' LEU . 28.2 tt0 -66.87 -24.39 66.12 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.4 m -101.11 -30.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.752 1.221 . . . . 0.0 112.487 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 69.6 m -55.86 -39.92 72.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.493 1.117 . . . . 0.0 110.66 169.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.63 88.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.539 0.736 . . . . 0.0 110.255 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.04 -38.16 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.239 -0.913 . . . . 0.0 112.39 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.8 mt -58.78 -44.03 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.244 1.017 . . . . 0.0 110.669 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -70.76 -39.47 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.168 0.987 . . . . 0.0 110.896 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.38 -43.07 99.51 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.55 1.068 . . . . 0.0 111.588 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -60.46 -49.19 78.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.102 0.961 . . . . 0.0 111.323 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.9 75.06 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.37 0.668 . . . . 0.0 112.699 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.05 -52.11 31.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -29.26 69.47 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.766 1.167 . . . . 0.0 111.67 175.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -62.68 -40.19 96.32 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.335 0.97 . . . . 0.0 111.83 169.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 60.3 t80 -70.42 -33.85 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.762 1.225 . . . . 0.0 113.227 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 CA--C 1.542 0.66 0 O-C-N 121.259 -0.901 . . . . 0.0 112.335 173.661 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.19 -42.42 65.87 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.022 0.929 . . . . 0.0 112.192 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -65.64 -38.73 90.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.546 -0.721 . . . . 0.0 112.024 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.2 mt -66.2 -39.62 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.812 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.59 88.37 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.649 1.113 . . . . 0.0 112.815 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.84 -47.22 81.64 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.228 -0.92 . . . . 0.0 111.684 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -67.29 -34.57 77.68 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.638 0.775 . . . . 0.0 111.786 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.07 -53.57 51.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.647 1.579 . . . . 0.0 110.491 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.44 -52.25 59.0 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.51 71.57 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -74.13 -50.89 17.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.693 0.797 . . . . 0.0 111.721 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -25.24 66.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.747 1.219 . . . . 0.0 112.635 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.59 -23.05 15.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.644 1.578 . . . . 0.0 114.018 171.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CD2' HG22 ' A' ' 35' ' ' VAL . 63.0 m-85 -117.92 0.26 11.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.855 1.662 . . . . 0.0 113.252 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 t0 . . . . . 0 CA--C 1.543 0.711 0 O-C-N 121.325 -0.86 . . . . 0.0 110.411 172.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 33.32 20.44 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.562 1.077 . . . . 0.0 113.814 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -139.97 159.37 42.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.589 1.156 . . . . 0.0 113.579 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 pt -137.23 170.81 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 127.261 2.224 . . . . 0.0 110.954 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -83.0 159.57 22.18 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.169 0.985 . . . . 0.0 112.768 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.476 ' HB ' HD13 ' A' ' 52' ' ' ILE . 39.5 p -61.0 -25.47 66.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.411 1.085 . . . . 0.0 112.748 171.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.29 -42.58 65.35 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.679 1.192 . . . . 0.0 112.455 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.36 -16.74 61.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.69 1.196 . . . . 0.0 113.881 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -57.69 6.48 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.394 1.078 . . . . 0.0 111.391 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -26.5 70.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.497 -0.752 . . . . 0.0 113.238 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 m -74.53 -36.8 63.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.287 1.043 . . . . 0.0 111.874 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG22 ' CD2' ' A' ' 19' ' ' PHE . 43.6 t -63.27 -39.75 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 123.467 0.707 . . . . 0.0 110.239 169.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.7 mtp -65.38 -39.21 91.98 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.867 -1.146 . . . . 0.0 112.618 172.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -61.57 -35.94 79.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.228 0.922 . . . . 0.0 112.325 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -63.41 -36.39 83.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.52 0.728 . . . . 0.0 111.964 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.24 27.84 0.47 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.149 1.779 . . . . 0.0 113.88 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.56 15.63 73.31 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 117.362 1.705 . . . . 0.0 117.362 168.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -140.16 132.86 28.93 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.572 1.686 . . . . 0.0 112.432 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -112.23 86.23 7.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.565 1.146 . . . . 0.0 111.784 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.62 154.61 72.96 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.775 2.983 . . . . 0.0 112.565 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -74.88 163.09 28.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.873 0.869 . . . . 0.0 111.755 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.32 -35.98 76.86 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.127 -0.983 . . . . 0.0 112.189 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.23 74.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.874 0.87 . . . . 0.0 112.252 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.25 -41.12 97.12 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 0.0 111.553 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.4 mt -61.6 -47.59 84.77 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.292 0.637 . . . . 0.0 111.707 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.54 -40.88 88.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.128 0.877 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.57 -37.62 88.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.063 0.945 . . . . 0.0 112.989 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.8 mtm -73.87 -40.0 63.53 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.9 0.773 . . . . 0.0 112.54 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.476 HD13 ' HB ' ' A' ' 29' ' ' THR . 49.6 mt -65.25 -28.83 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -57.79 -30.37 65.62 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.9 1.227 . . . . 0.0 113.599 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.88 -17.92 49.02 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 174.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.62 -42.5 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.102 1.761 . . . . 0.0 113.049 -169.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -122.37 48.67 1.71 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.148 1.779 . . . . 0.0 112.222 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.36 -24.1 64.81 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.214 -0.929 . . . . 0.0 113.161 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.83 -13.67 59.82 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.986 1.314 . . . . 0.0 113.937 174.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.04 30.95 69.55 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.675 1.131 . . . . 0.0 115.05 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -76.65 -17.98 58.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.608 1.204 . . . . 0.0 113.536 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.58 18.39 73.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.579 1.561 . . . . 0.0 114.556 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.8 p -134.14 160.06 38.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.991 1.317 . . . . 0.0 113.904 -174.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.8 mt -141.93 136.4 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.072 2.149 . . . . 0.0 109.192 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.73 157.1 17.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.52 0.728 . . . . 0.0 111.409 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -45.1 -55.86 10.36 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.84 -23.32 26.01 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.711 1.607 . . . . 0.0 113.573 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.0 -30.02 61.04 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.557 -0.715 . . . . 0.0 111.916 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -67.32 -41.75 84.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.856 0.862 . . . . 0.0 112.408 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.67 -21.1 65.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -59.76 -38.03 80.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.707 0.685 . . . . 0.0 112.65 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -83.7 -29.65 27.38 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.437 -0.789 . . . . 0.0 112.536 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mmm -61.12 -38.39 86.19 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.138 0.575 . . . . 0.0 110.969 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.852 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 173.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -75.88 -29.31 58.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.321 -0.862 . . . . 0.0 112.377 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -67.91 -44.49 76.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.665 -0.647 . . . . 0.0 111.492 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -58.29 -47.08 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.867 0.867 . . . . 0.0 110.165 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -55.97 -49.06 74.61 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -69.0 -38.95 79.57 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.152 0.887 . . . . 0.0 112.275 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.6 1.16 . . . . 0.0 113.532 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.1 -42.85 36.42 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.236 -0.915 . . . . 0.0 110.989 168.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -61.15 -28.88 69.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.478 1.111 . . . . 0.0 113.753 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.5 -19.93 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 170.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -96.66 -16.16 21.11 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.212 1.405 . . . . 0.0 113.592 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 125.225 1.41 . . . . 0.0 111.497 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.471 0 N-CA-C 114.096 0.398 . . . . 0.0 114.096 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 166.31 31.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.921 1.288 . . . . 0.0 111.485 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.67 136.46 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.623 1.569 . . . . 0.0 109.396 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m -66.65 142.94 57.27 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.646 -1.284 . . . . 0.0 111.912 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.92 90.09 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.245 -0.909 . . . . 0.0 112.802 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.38 72.02 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -73.04 -44.29 60.95 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.76 0.824 . . . . 0.0 111.776 176.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HA ' HG22 ' A' ' 108' ' ' VAL . 11.4 tp -69.07 -37.52 78.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.829 0.741 . . . . 0.0 111.324 174.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -61.65 -38.51 87.98 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.889 -1.132 . . . . 0.0 111.722 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -60.9 -61.11 2.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.352 171.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 105' ' ' LEU . 2.9 m -58.19 -39.4 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.983 1.719 . . . . 0.0 112.732 -175.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -75.29 -13.85 60.46 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.9 p -119.9 -4.05 10.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.063 1.345 . . . . 0.0 114.219 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.43 -23.63 15.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 113.083 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mt -131.94 169.38 16.38 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.565 1.546 . . . . 0.0 111.018 -169.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.25 -139.44 40.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 121.885 0.714 . . . . 0.0 114.322 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -78.14 -7.14 56.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.195 1.398 . . . . 0.0 112.8 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt 53.91 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.936 2.894 . . . . 0.0 113.311 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.62 152.7 29.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.323 1.049 . . . . 0.0 112.727 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -69.01 161.08 29.74 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.405 1.082 . . . . 0.0 111.03 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -56.29 -48.79 75.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.018 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.81 -32.02 68.97 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.271 -0.893 . . . . 0.0 112.469 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.13 -43.92 73.4 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.404 1.482 . . . . 0.0 111.931 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -73.87 -32.66 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 123.503 0.721 . . . . 0.0 111.874 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.13 -36.39 74.75 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.878 -1.139 . . . . 0.0 111.622 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.82 -30.33 65.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.877 0.871 . . . . 0.0 112.114 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -66.41 -56.39 11.27 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.931 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.3 mm -57.02 -37.94 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.782 1.174 . . . . 0.0 112.136 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -55.75 -23.75 31.24 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.395 1.478 . . . . 0.0 114.551 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -123.2 -27.09 4.21 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.912 1.285 . . . . 0.0 114.088 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.469 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -67.96 -33.7 75.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.519 1.928 . . . . 0.0 112.062 172.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.596 1.158 . . . . 0.0 109.578 167.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 CA-C-O 119.934 -0.37 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -129.33 97.65 4.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.469 HG13 ' HB1' ' A' ' 128' ' ' ALA . 14.9 t -66.08 129.26 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.67 -0.643 . . . . 0.0 109.606 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.86 92.09 4.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.104 0.954 . . . . 0.0 110.32 171.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -62.68 -24.09 67.46 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.395 -172.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.3 -33.97 77.05 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.466 1.03 . . . . 0.0 113.381 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.68 -39.73 43.91 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.44 -0.788 . . . . 0.0 110.806 169.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.88 -44.62 80.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.72 0.808 . . . . 0.0 113.067 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.33 -41.75 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.199 0.999 . . . . 0.0 111.702 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.02 -45.02 90.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.375 1.07 . . . . 0.0 112.428 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.6 ttp -64.69 -45.41 86.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.561 0.745 . . . . 0.0 112.378 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.8 ttp -66.53 -39.34 88.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.452 1.501 . . . . 0.0 111.924 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 81.8 p . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.276 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.3 tp60 . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.31 -47.93 77.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.45 1.5 . . . . 0.0 111.81 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.23 -29.35 70.45 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.7 m -93.31 -32.56 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 61.2 m -59.3 -41.03 88.01 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.728 1.211 . . . . 0.0 111.028 172.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -54.92 -44.63 74.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.76 -0.588 . . . . 0.0 110.942 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -60.77 -36.09 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.887 0.875 . . . . 0.0 112.134 -172.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.5 mt -58.71 -42.01 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 111.032 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.81 -40.13 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.396 1.078 . . . . 0.0 110.581 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.87 -42.33 99.72 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.293 1.406 . . . . 0.0 112.281 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -56.4 -55.64 31.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.692 1.197 . . . . 0.0 110.734 172.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.89 78.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.898 0.879 . . . . 0.0 112.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.85 -50.81 63.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.28 0.632 . . . . 0.0 111.934 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -63.26 -34.17 77.08 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.592 -0.692 . . . . 0.0 112.153 173.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -56.28 -45.91 79.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.046 0.938 . . . . 0.0 110.495 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -66.48 -40.87 89.54 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.782 0.833 . . . . 0.0 112.778 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 112.414 175.592 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.47 -43.79 76.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.12 0.968 . . . . 0.0 112.225 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -62.23 -44.64 96.12 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.332 0.653 . . . . 0.0 111.218 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.18 -44.36 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 110.64 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.8 81.71 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.687 0.795 . . . . 0.0 113.092 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -66.15 -46.59 76.95 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.262 -0.899 . . . . 0.0 112.004 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.5 -33.38 75.8 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.63 0.772 . . . . 0.0 112.316 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -52.91 -51.41 61.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.746 1.618 . . . . 0.0 110.997 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.44 -50.82 57.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 0.0 111.643 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.79 70.99 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.14 -50.99 16.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.153 0.981 . . . . 0.0 111.541 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -59.79 -26.38 65.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.559 1.143 . . . . 0.0 112.686 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.97 -22.14 14.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.699 1.6 . . . . 0.0 114.108 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 35' ' ' VAL . 53.8 m-85 -121.1 4.58 10.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.905 1.682 . . . . 0.0 113.179 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 CA--C 1.541 0.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.308 173.36 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.28 32.25 26.05 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.579 1.085 . . . . 0.0 113.679 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -138.75 159.09 42.95 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.206 1.402 . . . . 0.0 112.613 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -131.64 169.82 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.534 1.934 . . . . 0.0 110.39 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.8 p -82.35 157.88 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 112.049 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 p -60.7 -27.51 67.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.945 0.898 . . . . 0.0 112.53 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.47 -43.41 77.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.53 1.132 . . . . 0.0 112.663 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -80.8 -6.64 58.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -55.69 17.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.772 1.169 . . . . 0.0 111.112 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.27 72.98 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.23 -0.919 . . . . 0.0 113.204 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -67.38 -41.64 84.7 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.329 1.065 . . . . 0.0 111.488 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 19' ' ' PHE . 51.9 t -64.31 -40.91 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 110.874 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.1 mtp -64.1 -37.55 87.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.936 -1.103 . . . . 0.0 112.649 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -67.2 -34.08 76.75 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.234 1.014 . . . . 0.0 113.162 173.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 t -62.89 -35.86 81.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.356 0.663 . . . . 0.0 111.769 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.73 20.99 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.904 1.681 . . . . 0.0 114.257 170.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.49 2.21 63.09 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.045 1.307 . . . . 0.0 116.131 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.54 179.53 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.539 1.169 . . . . 0.0 110.447 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -159.76 77.05 2.89 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.087 -1.008 . . . . 0.0 110.045 166.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -68.22 154.99 70.99 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.122 3.214 . . . . 0.0 112.522 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.5 p -77.74 161.74 27.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.908 0.883 . . . . 0.0 111.956 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -57.35 -42.47 82.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.293 -0.879 . . . . 0.0 111.477 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.97 99.52 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.13 0.572 . . . . 0.0 112.298 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.5 -45.2 72.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.277 0.631 . . . . 0.0 112.212 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.65 -46.82 86.32 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.291 0.636 . . . . 0.0 111.467 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.13 -37.85 88.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.896 0.878 . . . . 0.0 112.177 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.55 -40.34 89.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.503 -0.748 . . . . 0.0 112.746 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.1 mtm -68.2 -41.79 80.83 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.21 -0.931 . . . . 0.0 111.925 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.98 -29.73 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.085 0.954 . . . . 0.0 111.836 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.0 -31.13 69.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.048 1.295 . . . . 0.0 112.817 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -85.1 -47.8 9.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.603 171.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -67.94 -39.67 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.643 1.177 . . . . 0.0 113.577 -175.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -116.27 45.17 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.166 1.786 . . . . 0.0 112.283 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -26.13 63.53 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -85.79 -5.46 59.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.914 1.285 . . . . 0.0 114.337 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.09 40.3 56.76 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.497 1.046 . . . . 0.0 115.3 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -76.44 -22.98 53.95 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.113 1.365 . . . . 0.0 113.215 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 16.92 78.11 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.743 1.64 . . . . 0.0 114.445 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.3 p -138.1 159.46 41.98 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.321 1.448 . . . . 0.0 113.596 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.8 mt -139.86 136.02 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 127.133 2.173 . . . . 0.0 108.78 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.03 156.77 18.65 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.784 0.72 . . . . 0.0 111.374 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.47 -54.05 20.72 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.53 -23.28 27.47 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.808 1.672 . . . . 0.0 113.46 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.43 -37.15 63.4 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.51 -0.744 . . . . 0.0 111.478 174.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.25 -41.49 98.49 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.489 -0.757 . . . . 0.0 111.99 171.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.71 -19.13 64.7 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -36.54 79.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.556 1.071 . . . . 0.0 112.755 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.83 -34.51 24.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.736 -0.602 . . . . 0.0 112.202 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.56 -36.71 83.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.961 0.504 . . . . 0.0 111.115 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 123.635 0.774 . . . . 0.0 112.647 174.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.36 -33.95 75.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.469 0.708 . . . . 0.0 112.198 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -68.11 -44.26 76.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.53 -0.731 . . . . 0.0 111.294 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.31 -47.28 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.842 0.857 . . . . 0.0 110.275 174.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -56.87 -47.85 79.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.272 0.629 . . . . 0.0 112.574 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -70.81 -38.66 73.33 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.186 0.903 . . . . 0.0 112.547 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.51 68.58 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.856 1.262 . . . . 0.0 113.13 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.15 -42.56 31.36 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.161 -0.962 . . . . 0.0 111.39 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -61.78 -28.48 69.48 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.316 -0.865 . . . . 0.0 113.208 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.57 -23.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -92.35 -23.07 19.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.174 1.39 . . . . 0.0 113.317 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 . . . . . 0 CA--C 1.55 0.947 0 C-N-CA 124.992 1.317 . . . . 0.0 109.484 169.378 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.508 0 N-CA-C 114.303 0.481 . . . . 0.0 114.303 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -155.4 166.01 34.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.553 1.941 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -121.48 150.81 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.264 1.425 . . . . 0.0 108.904 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -77.42 142.79 39.05 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.377 -1.452 . . . . 0.0 111.122 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.38 79.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.974 -1.079 . . . . 0.0 112.804 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.5 72.36 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -73.76 -44.65 55.53 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.643 0.777 . . . . 0.0 111.814 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.437 ' HA ' HG22 ' A' ' 108' ' ' VAL . 8.0 tp -69.51 -36.75 76.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.493 1.042 . . . . 0.0 111.096 175.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -62.71 -37.23 85.7 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.75 1.159 . . . . 0.0 111.898 169.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -60.63 -63.91 1.14 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.007 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 105' ' ' LEU . 2.8 m -57.78 -38.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 121.265 1.848 . . . . 0.0 113.119 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -76.07 -12.73 60.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 p -124.79 -6.58 7.38 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.689 1.195 . . . . 0.0 114.09 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -92.7 -24.64 18.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 112.777 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 mt -133.68 164.71 26.61 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.481 1.912 . . . . 0.0 109.917 -169.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.64 -153.75 51.07 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 173.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -78.97 51.19 1.1 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.531 1.932 . . . . 0.0 111.483 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -13.53 111.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.083 3.753 . . . . 0.0 114.81 -169.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.41 146.46 39.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.6 m -66.88 158.56 30.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.472 0.709 . . . . 0.0 110.087 171.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -52.48 -45.34 66.11 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.583 1.153 . . . . 0.0 113.556 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.09 -28.88 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.496 -0.753 . . . . 0.0 112.735 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.69 -43.8 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.604 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.43 -34.76 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 123.081 0.552 . . . . 0.0 111.194 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.16 -39.22 92.66 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.413 -0.805 . . . . 0.0 112.456 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -57.64 -44.44 85.62 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.941 0.896 . . . . 0.0 110.571 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.0 ttm -59.33 -47.01 87.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.152 0.981 . . . . 0.0 111.766 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.71 -47.43 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.606 1.094 . . . . 0.0 110.308 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -58.76 -26.65 64.2 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -107.71 -19.52 13.51 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.93 -28.85 21.25 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 125.55 1.54 . . . . 0.0 111.337 176.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 N-CA-C 114.374 0.51 . . . . 0.0 114.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -123.09 89.29 3.08 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.347 1.459 . . . . 0.0 109.506 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.06 107.92 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 124.322 1.049 . . . . 0.0 111.192 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -83.28 93.15 7.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.838 0.828 . . . . 0.0 110.395 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -64.84 -26.77 68.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.939 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.71 -34.49 73.96 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.738 1.154 . . . . 0.0 112.7 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -75.35 -39.71 58.99 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.276 -0.89 . . . . 0.0 110.596 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.51 -40.83 96.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.29 1.036 . . . . 0.0 113.423 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.02 -42.86 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.032 0.833 . . . . 0.0 111.484 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.62 -40.25 96.43 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.795 0.838 . . . . 0.0 112.06 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.9 ttp -65.9 -45.9 80.27 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.448 0.699 . . . . 0.0 112.434 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.5 mtm -67.77 -42.24 82.01 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 48.5 p . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.562 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.6 tp60 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -54.95 -48.66 72.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.381 1.472 . . . . 0.0 112.094 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.66 -26.95 66.46 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.6 m -94.4 -32.25 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.177 0.991 . . . . 0.0 111.848 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.6 m -58.07 -40.29 80.65 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.848 1.259 . . . . 0.0 111.401 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.98 77.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.761 0.425 . . . . 0.0 110.459 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.4 -37.24 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.474 0.709 . . . . 0.0 112.162 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -58.14 -43.48 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 110.731 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.78 -41.36 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.061 0.944 . . . . 0.0 111.002 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.99 -43.63 98.56 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.662 1.119 . . . . 0.0 112.526 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.02 -41.16 78.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.504 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.72 81.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.153 0.581 . . . . 0.0 112.173 169.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 53.4 t80 -69.91 -48.26 59.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.81 -31.7 72.75 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.011 -1.055 . . . . 0.0 112.041 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 46.1 tpt85 -63.96 -37.16 86.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.144 0.883 . . . . 0.0 112.069 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.0 t80 -71.22 -37.07 72.06 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 45.6 mt . . . . . 0 N--CA 1.471 0.621 0 O-C-N 121.371 -0.831 . . . . 0.0 112.554 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -71.26 -44.86 64.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.099 0.96 . . . . 0.0 111.901 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -62.35 -42.48 99.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.483 0.713 . . . . 0.0 111.04 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.0 mt -62.63 -43.59 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.509 -0.757 . . . . 0.0 111.044 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.61 76.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.666 1.121 . . . . 0.0 113.026 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.07 -45.34 85.71 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.79 -1.194 . . . . 0.0 111.576 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -68.1 -32.78 73.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -57.95 -50.24 74.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.803 1.641 . . . . 0.0 111.234 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.02 -49.79 71.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.199 0.599 . . . . 0.0 111.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.35 75.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -73.26 -48.2 36.76 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.308 0.958 . . . . 0.0 112.042 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -59.75 -25.25 64.71 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.333 1.053 . . . . 0.0 112.565 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.08 -20.79 10.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.773 1.629 . . . . 0.0 114.661 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 35' ' ' VAL . 26.7 m-85 -129.78 6.71 5.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.419 1.488 . . . . 0.0 112.983 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t0 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.157 0.983 . . . . 0.0 110.308 175.166 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.75 59.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.9 1.238 . . . . 0.0 113.913 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.4 p -141.96 148.93 39.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.621 1.211 . . . . 0.0 113.5 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 pt -120.64 172.41 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.239 2.216 . . . . 0.0 110.524 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -85.56 157.86 20.28 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.24 1.019 . . . . 0.0 112.248 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.444 ' HB ' HD13 ' A' ' 52' ' ' ILE . 25.6 p -61.39 -29.77 70.13 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -74.33 -35.0 63.61 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -18.7 57.32 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.258 174.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.6 -60.13 2.14 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.032 1.333 . . . . 0.0 111.656 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.9 -26.07 68.49 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.923 -0.376 . . . . 0.0 113.501 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 m -73.76 -36.86 65.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.261 1.031 . . . . 0.0 111.574 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.326 2.0 m -71.17 -30.67 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 121.631 -0.668 . . . . 0.0 111.594 170.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.2 mtp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.034 -1.041 . . . . 0.0 112.082 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -60.31 -38.77 84.73 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.157 0.983 . . . . 0.0 111.992 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -63.0 -29.97 71.24 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.626 0.77 . . . . 0.0 112.813 171.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.37 23.29 3.0 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.401 1.88 . . . . 0.0 113.992 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.38 27.63 65.38 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 168.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.27 139.02 22.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.096 1.448 . . . . 0.0 112.352 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -109.89 88.17 6.48 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 123.861 0.864 . . . . 0.0 110.869 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -66.4 152.53 80.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.489 2.792 . . . . 0.0 112.09 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -73.19 161.07 30.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.443 0.639 . . . . 0.0 111.691 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -60.01 -37.39 79.6 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.229 -0.92 . . . . 0.0 111.796 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.95 79.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.017 0.927 . . . . 0.0 112.568 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -65.36 -44.42 87.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.7 0.8 . . . . 0.0 111.719 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.65 -46.7 89.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.351 0.66 . . . . 0.0 111.42 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.29 -41.05 88.06 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.618 0.767 . . . . 0.0 112.278 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.45 -42.86 95.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.772 0.829 . . . . 0.0 112.352 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.0 mtm -66.99 -42.28 85.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.471 -0.768 . . . . 0.0 112.072 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.444 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.2 mt -67.84 -29.29 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.778 0.831 . . . . 0.0 111.714 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -62.62 -27.91 69.53 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.1 1.318 . . . . 0.0 113.024 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.3 -45.59 11.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.793 0.837 . . . . 0.0 112.459 171.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 t -71.17 -39.67 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.23 1.412 . . . . 0.0 113.473 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.58 48.32 1.3 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.124 1.77 . . . . 0.0 112.204 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -25.97 62.94 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -92.24 0.05 57.44 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.942 1.297 . . . . 0.0 114.221 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 41.15 70.68 Favored Glycine 0 CA--C 1.538 1.473 0 O-C-N 120.786 -1.196 . . . . 0.0 115.512 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -76.29 -22.77 54.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.144 1.378 . . . . 0.0 113.262 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.47 17.88 78.06 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.837 1.685 . . . . 0.0 114.374 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.1 p -139.58 160.52 39.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.125 1.37 . . . . 0.0 113.553 -173.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.29 135.81 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.613 1.965 . . . . 0.0 108.764 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.82 156.57 20.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.917 0.887 . . . . 0.0 112.434 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -46.54 -56.01 12.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.17 -22.23 30.49 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.783 1.656 . . . . 0.0 113.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -72.61 -38.67 67.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.835 0.743 . . . . 0.0 111.41 173.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.43 -40.42 96.52 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.381 -0.824 . . . . 0.0 112.244 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.81 -19.02 63.65 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -34.53 77.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.109 0.868 . . . . 0.0 112.96 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -83.92 -37.65 22.06 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.426 -0.796 . . . . 0.0 111.292 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.4 mmm -63.54 -21.26 66.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.994 0.918 . . . . 0.0 112.796 169.065 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.4 -32.94 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.952 0.901 . . . . 0.0 112.144 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -68.68 -46.8 68.11 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.615 0.766 . . . . 0.0 111.043 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.28 -46.87 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.12 0.968 . . . . 0.0 110.217 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.11 -43.59 95.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -72.16 -40.43 67.99 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.522 -0.736 . . . . 0.0 112.917 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -26.84 68.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.824 1.25 . . . . 0.0 112.957 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -76.07 -43.21 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.987 -1.071 . . . . 0.0 111.637 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -58.44 -31.56 67.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 0.0 113.346 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.53 -15.85 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 172.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.4 m-85 -98.71 -11.98 21.44 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.169 1.387 . . . . 0.0 113.694 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 119.291 0.951 . . . . 0.0 110.631 -179.397 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.308 0 N-CA-C 113.976 0.35 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.19 168.61 23.49 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.045 1.738 . . . . 0.0 109.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -127.67 138.02 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.917 1.287 . . . . 0.0 109.208 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -66.77 140.32 57.84 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.898 -1.126 . . . . 0.0 110.734 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.81 87.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.902 -1.124 . . . . 0.0 112.817 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.54 70.81 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.694 0.797 . . . . 0.0 112.91 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -75.24 -42.71 54.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.878 0.871 . . . . 0.0 111.872 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.8 -40.64 83.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.618 0.645 . . . . 0.0 110.461 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -59.62 -40.39 87.41 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.036 0.835 . . . . 0.0 112.081 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -57.46 -62.62 1.65 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.967 0.803 . . . . 0.0 110.622 172.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.683 HG23 HD12 ' A' ' 112' ' ' LEU . 14.5 p -65.61 -35.33 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.085 0.857 . . . . 0.0 112.884 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mmt -69.17 -14.68 63.12 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.2 p -118.5 -3.23 10.93 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.13 -44.35 6.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.109 1.763 . . . . 0.0 112.223 172.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.683 HD12 HG23 ' A' ' 108' ' ' VAL . 18.1 mt -122.23 140.12 52.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 112.048 -167.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.33 -146.73 32.06 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 114.636 0.614 . . . . 0.0 114.636 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.97 23.2 0.14 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -170.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 24.91 100.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.424 3.49 . . . . 0.0 115.159 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.43 144.27 47.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.659 0.784 . . . . 0.0 111.288 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.78 160.65 27.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.739 0.816 . . . . 0.0 110.072 171.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -56.13 -45.13 79.67 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.757 -1.214 . . . . 0.0 113.553 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -72.61 -25.68 61.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.145 -0.972 . . . . 0.0 112.786 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.08 -42.03 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.734 1.614 . . . . 0.0 111.863 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.98 -34.47 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.653 0.781 . . . . 0.0 110.869 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -65.12 -42.77 93.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.375 0.67 . . . . 0.0 111.592 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -56.07 -42.84 77.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.462 0.705 . . . . 0.0 111.227 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.05 -50.38 71.12 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.025 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.2 mm -61.13 -34.04 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 120.503 1.501 . . . . 0.0 111.608 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -57.45 -34.68 69.24 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.425 1.466 . . . . 0.0 113.485 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.11 -19.76 12.93 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.514 1.526 . . . . 0.0 113.912 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -82.8 -33.71 27.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.885 . . . . 0.0 112.926 173.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.627 1.171 . . . . 0.0 112.84 178.05 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.269 0 N-CA-C 114.481 0.552 . . . . 0.0 114.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.93 100.68 6.71 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.257 1.423 . . . . 0.0 110.319 -177.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.632 HG13 ' HB1' ' A' ' 128' ' ' ALA . 20.1 t -78.04 124.4 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.323 0.649 . . . . 0.0 110.603 173.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -93.33 98.27 11.14 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.173 0.987 . . . . 0.0 110.496 169.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -68.71 -26.27 65.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.491 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.04 -30.22 64.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.88 1.218 . . . . 0.0 112.066 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -75.11 -42.18 56.99 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 167.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.25 -44.37 95.35 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.605 1.162 . . . . 0.0 113.467 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.08 -47.93 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.863 0.865 . . . . 0.0 111.271 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -63.49 -34.65 78.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.488 0.715 . . . . 0.0 112.396 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.8 ttp -68.76 -45.69 70.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.423 0.689 . . . . 0.0 112.446 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.98 -40.22 94.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.066 0.848 . . . . 0.0 112.344 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 64.2 p . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.97 -46.85 75.11 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.002 1.321 . . . . 0.0 112.284 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.488 ' HA ' HD13 ' A' ' 112' ' ' LEU . 93.2 mt-10 -71.14 -18.88 62.49 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -175.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.6 m -103.92 -31.42 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.713 1.205 . . . . 0.0 111.907 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.1 m -57.01 -39.88 75.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.341 1.457 . . . . 0.0 111.747 172.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.74 77.82 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 110.146 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 98.4 mt -63.78 -39.05 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 120.846 -1.159 . . . . 0.0 112.076 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.3 mt -58.74 -42.02 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.204 1.001 . . . . 0.0 110.848 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.83 -39.68 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.191 0.996 . . . . 0.0 111.324 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -58.37 -46.34 86.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.747 1.158 . . . . 0.0 111.442 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -59.15 -53.33 59.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.105 1.362 . . . . 0.0 111.212 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.61 74.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.589 0.755 . . . . 0.0 112.782 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.8 t80 -70.88 -49.42 46.2 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.841 -0.537 . . . . 0.0 112.257 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -62.65 -33.61 75.39 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.537 1.062 . . . . 0.0 111.939 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -58.54 -45.81 88.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.002 0.921 . . . . 0.0 110.783 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -70.88 -31.44 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.266 1.426 . . . . 0.0 114.519 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 119.817 1.19 . . . . 0.0 112.207 175.008 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.68 -43.63 75.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.149 0.98 . . . . 0.0 112.246 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -63.73 -44.62 93.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.342 0.657 . . . . 0.0 111.292 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.73 -42.42 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.319 0.648 . . . . 0.0 110.561 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.63 87.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.198 0.908 . . . . 0.0 112.953 176.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.16 -41.17 86.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 112.024 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -68.53 -33.54 74.3 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.192 -0.942 . . . . 0.0 112.006 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -56.93 -53.05 62.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.524 1.529 . . . . 0.0 110.996 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.44 -26.74 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -43.01 64.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.881 0.872 . . . . 0.0 112.729 169.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.77 -48.22 40.14 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.345 -0.847 . . . . 0.0 112.587 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -63.35 -14.41 49.73 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.21 -20.96 61.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.802 1.241 . . . . 0.0 113.857 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' HG12 ' A' ' 35' ' ' VAL . 38.1 m-85 -123.75 -4.64 8.13 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 -177.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 t0 . . . . . 0 CA--C 1.546 0.789 0 O-C-N 121.436 -0.79 . . . . 0.0 109.683 171.415 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 34.3 21.9 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.726 1.155 . . . . 0.0 113.973 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -139.49 155.95 47.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.529 1.164 . . . . 0.0 113.491 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.9 pt -131.32 169.89 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 127.008 2.123 . . . . 0.0 110.734 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 p -81.98 158.38 23.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 122.274 1.035 . . . . 0.0 112.667 168.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.422 ' HB ' HD13 ' A' ' 52' ' ' ILE . 25.2 p -61.38 -26.77 68.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.235 1.014 . . . . 0.0 112.589 171.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -68.7 -39.73 80.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 112.388 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.44 -18.77 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.6 -59.21 3.15 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.584 1.154 . . . . 0.0 111.629 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.25 -25.59 69.88 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 122.071 -0.393 . . . . 0.0 113.515 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.43 -39.45 71.06 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.222 1.011 . . . . 0.0 111.349 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.615 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.328 2.0 m -72.85 -28.79 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 O-C-N 121.304 -0.873 . . . . 0.0 111.761 172.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.5 mtp -66.52 -39.74 88.79 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.768 -1.208 . . . . 0.0 111.826 168.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.95 -36.35 79.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.953 0.901 . . . . 0.0 112.274 173.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 t -62.22 -34.8 77.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.683 0.793 . . . . 0.0 112.18 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.9 27.93 0.52 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.534 1.934 . . . . 0.0 114.07 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.75 14.8 70.55 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 116.708 1.443 . . . . 0.0 116.708 168.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -139.0 129.64 26.0 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.11 1.455 . . . . 0.0 112.11 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -104.84 93.59 6.42 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.694 1.198 . . . . 0.0 110.227 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.03 157.34 62.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.635 2.89 . . . . 0.0 113.02 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -73.71 151.61 40.66 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.732 1.213 . . . . 0.0 110.877 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -64.49 -36.16 83.28 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.991 -1.693 . . . . 0.0 113.37 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.66 72.1 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.705 0.802 . . . . 0.0 112.679 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -66.12 -45.2 81.95 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.577 1.151 . . . . 0.0 110.984 173.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.74 -45.21 92.92 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.611 0.764 . . . . 0.0 111.758 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.66 -41.11 89.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.656 0.662 . . . . 0.0 112.158 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.5 -45.02 80.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.497 0.719 . . . . 0.0 112.234 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtm -65.4 -32.43 74.05 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 112.783 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD13 ' HB ' ' A' ' 29' ' ' THR . 58.7 mt -73.28 -36.06 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -61.0 -30.97 70.6 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.814 1.643 . . . . 0.0 112.676 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.62 -17.39 61.17 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 172.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.93 -49.86 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.33 1.452 . . . . 0.0 113.488 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -102.47 49.07 0.85 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.647 1.979 . . . . 0.0 112.133 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -22.37 65.27 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.921 -1.112 . . . . 0.0 113.09 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.84 -14.97 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.784 1.233 . . . . 0.0 113.719 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.52 67.31 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.915 1.245 . . . . 0.0 115.125 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -77.0 -17.7 58.68 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.609 1.205 . . . . 0.0 113.789 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.89 19.29 73.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.386 1.469 . . . . 0.0 114.561 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -136.05 160.38 38.8 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.947 1.299 . . . . 0.0 113.804 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.5 mt -141.11 137.45 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.218 2.207 . . . . 0.0 108.692 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.25 156.62 18.17 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.846 0.748 . . . . 0.0 111.483 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -47.24 -54.84 18.53 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.05 -22.77 30.31 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.81 1.673 . . . . 0.0 113.302 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.69 -34.15 62.58 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.579 -0.701 . . . . 0.0 111.711 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -63.22 -42.19 99.23 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.446 -0.784 . . . . 0.0 111.88 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.35 -19.76 64.92 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -35.83 80.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.056 0.843 . . . . 0.0 112.947 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ptp -84.01 -33.25 24.58 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.639 -0.663 . . . . 0.0 111.853 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.6 mmm -62.45 -35.67 80.03 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.674 -0.641 . . . . 0.0 111.309 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 C-N-CA 124.038 0.935 . . . . 0.0 113.503 170.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -67.67 -36.25 80.35 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.592 0.757 . . . . 0.0 111.625 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -42.94 80.87 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.11 0.964 . . . . 0.0 111.067 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.46 -47.23 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.076 0.951 . . . . 0.0 110.604 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -58.06 -45.39 87.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.237 0.926 . . . . 0.0 111.847 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -65.09 -45.51 84.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.318 0.647 . . . . 0.0 112.243 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.39 89.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.78 1.232 . . . . 0.0 112.464 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -66.05 -42.45 89.52 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.204 -0.935 . . . . 0.0 112.281 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.5 -21.75 66.76 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.286 -0.884 . . . . 0.0 113.307 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -68.74 -23.51 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.558 1.543 . . . . 0.0 112.519 168.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -97.47 -24.97 15.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.176 1.39 . . . . 0.0 113.589 174.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.232 1.013 . . . . 0.0 109.9 175.211 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.272 0 N-CA-C 113.135 0.014 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.46 164.06 38.31 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.844 1.257 . . . . 0.0 111.559 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.66 139.11 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.99 1.716 . . . . 0.0 108.781 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -66.99 139.66 57.69 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.586 -1.321 . . . . 0.0 111.303 172.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.92 82.33 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.179 -0.95 . . . . 0.0 112.591 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.34 72.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.625 0.77 . . . . 0.0 112.973 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -74.73 -42.29 58.57 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.403 -0.81 . . . . 0.0 111.881 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.29 -40.21 86.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.089 0.859 . . . . 0.0 110.82 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.48 -38.67 90.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.81 0.844 . . . . 0.0 112.234 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -57.28 -63.48 1.21 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.026 0.531 . . . . 0.0 110.167 171.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.734 HG23 HD12 ' A' ' 112' ' ' LEU . 13.7 p -64.36 -37.51 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.867 0.758 . . . . 0.0 112.7 -172.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.4 mmt -68.36 -16.69 64.02 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 p -113.87 5.27 16.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 170.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -109.63 -39.56 5.1 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.924 1.29 . . . . 0.0 113.122 174.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.734 HD12 HG23 ' A' ' 108' ' ' VAL . 34.6 mt -125.66 139.45 53.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 111.224 -168.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.85 -150.83 38.31 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-O 121.962 0.757 . . . . 0.0 114.41 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.17 16.19 0.26 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -168.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.04 107.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 129.606 3.162 . . . . 0.0 114.815 -176.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.56 136.9 56.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.06 -1.025 . . . . 0.0 109.194 168.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -64.82 161.93 17.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.727 1.211 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.89 -44.38 29.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.457 1.503 . . . . 0.0 114.499 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.61 -29.66 27.56 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.139 0.976 . . . . 0.0 113.024 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.08 -40.82 67.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.997 1.719 . . . . 0.0 112.387 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.32 -30.67 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.572 -0.705 . . . . 0.0 111.072 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.19 -37.63 63.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.15 0.98 . . . . 0.0 112.038 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -56.82 -40.89 76.84 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.104 1.362 . . . . 0.0 110.075 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -59.02 -55.98 28.12 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.985 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.65 -40.06 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 120.967 1.712 . . . . 0.0 111.007 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -62.23 -14.2 35.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.6 -13.49 7.51 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -83.79 -25.31 30.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.866 2.466 . . . . 0.0 113.34 170.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -170.732 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 116.324 1.289 . . . . 0.0 116.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -108.23 140.82 40.9 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.557 1.178 . . . . 0.0 111.108 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.463 HG13 ' HB1' ' A' ' 128' ' ' ALA . 3.3 t -114.31 131.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.456 1.902 . . . . 0.0 109.404 171.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -100.11 93.57 5.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 123.064 1.411 . . . . 0.0 112.69 171.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -60.19 -27.95 67.57 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.345 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.77 -24.87 66.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.198 0.908 . . . . 0.0 113.094 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -90.59 -36.88 14.18 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.499 -0.75 . . . . 0.0 111.387 167.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.59 -42.8 93.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.193 0.997 . . . . 0.0 112.784 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.86 -50.69 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.367 1.067 . . . . 0.0 111.831 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -64.18 -37.18 86.54 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.836 0.744 . . . . 0.0 111.793 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.38 -44.69 90.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.127 0.571 . . . . 0.0 112.11 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.0 mtm -65.99 -41.3 91.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.544 0.611 . . . . 0.0 112.566 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -177.002 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 66.9 tp60 . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.41 -43.88 75.69 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.922 1.289 . . . . 0.0 112.054 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 46.8 tt0 -66.84 -24.87 66.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.5 m -101.15 -30.1 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.529 1.132 . . . . 0.0 112.307 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.7 m -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.945 1.298 . . . . 0.0 110.691 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.58 84.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.539 0.736 . . . . 0.0 110.469 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -39.39 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.858 -1.151 . . . . 0.0 112.003 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -58.23 -43.93 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.568 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -72.99 -41.06 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.454 1.102 . . . . 0.0 111.406 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -55.52 -46.67 76.99 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.718 1.145 . . . . 0.0 111.215 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -68.63 -46.99 67.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.687 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.15 78.01 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.57 -49.99 55.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.814 -0.554 . . . . 0.0 112.066 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.92 -26.54 68.64 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.46 -0.775 . . . . 0.0 112.928 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -63.88 -46.47 84.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.854 1.262 . . . . 0.0 111.103 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.8 -33.16 75.0 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.794 1.238 . . . . 0.0 113.53 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 35.7 mt . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.078 -1.014 . . . . 0.0 113.167 175.236 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.78 -50.7 72.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.052 1.341 . . . . 0.0 111.869 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.71 -44.06 87.25 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.205 1.002 . . . . 0.0 110.895 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.82 -43.74 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.655 0.782 . . . . 0.0 110.884 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.56 76.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.616 1.098 . . . . 0.0 112.974 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.3 -43.31 91.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.907 -1.121 . . . . 0.0 111.516 172.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -66.58 -33.82 76.52 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 0.0 112.516 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -59.2 -48.81 80.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.448 1.499 . . . . 0.0 110.943 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -47.88 78.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.784 0.834 . . . . 0.0 112.049 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.24 77.94 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.836 1.051 . . . . 0.0 113.836 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.45 -51.13 13.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.505 1.048 . . . . 0.0 112.321 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.8 p -63.39 -16.93 61.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.39 -22.92 21.87 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.194 1.398 . . . . 0.0 114.25 170.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 35' ' ' VAL . 40.9 m-85 -123.99 2.0 8.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.305 1.442 . . . . 0.0 113.479 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.5 t0 . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 121.517 0.675 . . . . 0.0 110.366 175.025 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.13 33.69 19.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.454 1.026 . . . . 0.0 113.61 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -140.33 158.07 44.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.56 1.144 . . . . 0.0 113.693 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.33 169.7 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 127.421 2.289 . . . . 0.0 110.004 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -87.12 162.78 17.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.984 -1.073 . . . . 0.0 113.138 169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -58.58 -24.76 61.57 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.544 1.138 . . . . 0.0 112.618 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.47 -38.65 59.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.693 1.197 . . . . 0.0 112.789 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.79 -23.26 58.47 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.72 -61.78 1.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.107 1.363 . . . . 0.0 112.428 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -22.43 70.22 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 121.938 -0.476 . . . . 0.0 113.768 -177.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -71.68 -41.16 69.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.205 1.002 . . . . 0.0 110.646 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.31 1.4 m -71.64 -30.19 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.409 -0.807 . . . . 0.0 111.937 174.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.81 -39.47 93.63 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.005 -1.059 . . . . 0.0 111.826 168.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.31 -32.38 73.75 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.939 0.896 . . . . 0.0 113.225 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -62.89 -30.14 71.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.366 0.666 . . . . 0.0 112.373 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.67 17.62 3.84 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.118 1.767 . . . . 0.0 113.846 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 2.86 59.64 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.78 1.181 . . . . 0.0 115.54 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -81.02 176.39 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.254 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -159.71 79.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 121.13 -0.981 . . . . 0.0 109.952 166.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -66.93 152.25 80.71 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.857 3.038 . . . . 0.0 112.249 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -74.14 164.32 26.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.687 0.795 . . . . 0.0 111.886 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.98 -38.18 78.53 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.324 -0.86 . . . . 0.0 111.82 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.56 80.52 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.092 0.957 . . . . 0.0 112.687 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.81 -48.05 82.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.787 0.835 . . . . 0.0 111.624 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.28 -46.12 90.95 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.929 -0.482 . . . . 0.0 111.577 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.3 -41.26 93.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.636 0.653 . . . . 0.0 112.263 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.61 -41.14 93.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.811 0.732 . . . . 0.0 112.59 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -68.41 -40.65 81.19 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.477 -0.765 . . . . 0.0 112.018 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.88 -32.51 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.424 1.09 . . . . 0.0 111.722 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.2 -34.14 70.05 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.389 1.45 . . . . 0.0 113.479 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -80.11 -40.99 26.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.602 0.761 . . . . 0.0 112.814 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.67 -47.76 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.375 1.07 . . . . 0.0 112.678 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.87 31.25 1.09 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.011 2.125 . . . . 0.0 112.868 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.91 68.06 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.773 -1.204 . . . . 0.0 113.455 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.1 -5.52 59.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.699 1.199 . . . . 0.0 113.792 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.92 79.44 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 120.858 -1.152 . . . . 0.0 115.218 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.14 -18.17 59.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.215 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.14 11.41 79.2 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.629 1.585 . . . . 0.0 115.656 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.9 p -133.57 160.31 37.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.197 1.399 . . . . 0.0 113.306 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.2 mt -138.64 133.63 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 126.695 1.998 . . . . 0.0 108.077 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.09 157.31 19.43 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.628 0.649 . . . . 0.0 111.317 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -46.84 -54.31 20.64 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.67 -21.11 29.72 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.808 1.672 . . . . 0.0 113.453 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -74.8 -38.19 62.17 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.443 -0.785 . . . . 0.0 111.534 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -59.22 -41.14 87.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.434 -0.791 . . . . 0.0 111.684 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.81 -18.69 64.37 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -39.47 90.25 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.315 0.961 . . . . 0.0 112.582 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.19 -31.87 24.87 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.62 -0.675 . . . . 0.0 112.151 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.4 mmm -64.5 -37.43 87.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.961 0.504 . . . . 0.0 111.17 177.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 118.845 0.748 . . . . 0.0 113.006 173.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -72.3 -27.3 62.37 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.41 -0.806 . . . . 0.0 112.763 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.77 -48.65 71.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.278 0.631 . . . . 0.0 110.794 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.415 HG22 HG22 ' A' ' 142' ' ' VAL . 68.7 mt -59.83 -47.22 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.149 1.38 . . . . 0.0 110.093 175.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.254 0.622 . . . . 0.0 112.67 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -71.2 -39.39 71.8 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.687 0.676 . . . . 0.0 112.261 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.62 76.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.957 0.903 . . . . 0.0 112.419 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.65 -43.45 76.21 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 120.938 -1.101 . . . . 0.0 112.548 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -59.51 -26.63 65.47 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.724 0.81 . . . . 0.0 113.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.5 t -64.81 -25.79 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 126.067 1.747 . . . . 0.0 113.232 170.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.6 m-85 -97.22 -18.82 19.01 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.932 1.293 . . . . 0.0 113.864 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 124.398 1.079 . . . . 0.0 110.72 178.023 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.306 0 N-CA-C 114.113 0.405 . . . . 0.0 114.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.26 165.55 30.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.003 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 mt -130.48 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.645 1.578 . . . . 0.0 108.831 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 m -65.35 142.01 58.37 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.578 -1.326 . . . . 0.0 111.113 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.64 89.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.02 -1.05 . . . . 0.0 112.405 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.91 73.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.509 0.723 . . . . 0.0 112.938 173.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -71.72 -46.9 57.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.817 0.847 . . . . 0.0 111.645 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.43 -41.34 84.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.959 0.8 . . . . 0.0 111.11 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -59.96 -40.72 90.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.895 0.878 . . . . 0.0 111.942 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -58.41 -62.6 1.72 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.122 0.569 . . . . 0.0 110.581 171.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.713 HG23 HD12 ' A' ' 112' ' ' LEU . 13.9 p -64.85 -35.21 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 0.0 112.69 -171.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.57 -15.62 63.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.4 p -120.29 4.15 10.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -109.45 -38.31 5.5 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 126.078 1.751 . . . . 0.0 112.675 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.713 HD12 HG23 ' A' ' 108' ' ' VAL . 23.9 mt -126.3 145.53 50.38 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.841 1.256 . . . . 0.0 110.893 -169.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.98 -148.55 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 114.4 0.52 . . . . 0.0 114.4 -173.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.34 -9.26 58.27 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -172.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 61.5 134.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 129.229 3.012 . . . . 0.0 113.484 -172.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.17 146.73 27.69 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.892 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.74 161.6 23.2 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.053 0.941 . . . . 0.0 110.588 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -49.47 -47.52 48.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.497 1.519 . . . . 0.0 114.187 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.87 -24.83 35.52 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.656 0.782 . . . . 0.0 112.923 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.28 -41.69 73.07 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.242 1.417 . . . . 0.0 111.949 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.84 -33.22 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.399 0.68 . . . . 0.0 111.629 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -71.5 -26.73 62.8 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.291 -0.881 . . . . 0.0 112.093 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -66.96 -33.32 75.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.223 1.009 . . . . 0.0 111.663 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.1 ttm -66.7 -53.18 36.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.298 0.639 . . . . 0.0 110.579 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.09 -35.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 119.15 0.886 . . . . 0.0 112.03 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -58.29 -31.44 67.49 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -112.06 -24.42 9.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.834 1.254 . . . . 0.0 113.446 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.447 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -70.89 -37.71 73.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.373 1.869 . . . . 0.0 111.946 171.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 61.7 t0 . . . . . 0 CA--C 1.542 0.657 0 O-C-N 120.941 -1.099 . . . . 0.0 110.81 169.484 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.245 0 N-CA-C 113.763 0.265 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -128.25 92.3 3.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.998 1.719 . . . . 0.0 109.855 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.447 HG13 ' HB1' ' A' ' 128' ' ' ALA . 9.6 t -66.07 127.07 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.614 -0.679 . . . . 0.0 109.883 172.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.67 97.14 9.12 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.979 0.895 . . . . 0.0 110.239 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 142' ' ' VAL . 4.9 p90 -66.95 -29.37 69.22 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.241 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.06 -42.87 91.34 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.582 1.537 . . . . 0.0 112.778 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -75.23 -40.07 59.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.434 0.694 . . . . 0.0 112.372 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 4.1 t80 -61.93 -39.95 93.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 138' ' ' TYR . 96.8 t -50.65 -59.54 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.721 1.208 . . . . 0.0 109.283 172.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -71.1 -29.17 64.95 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.955 -166.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.6 ttp -65.97 -48.85 69.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.025 1.33 . . . . 0.0 111.832 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.4 ttp -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.073 1.349 . . . . 0.0 112.491 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 174.278 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -56.99 -45.94 82.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.853 1.261 . . . . 0.0 112.667 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.499 ' HG2' HD22 ' A' ' 112' ' ' LEU . 93.8 mt-10 -71.23 -17.48 62.5 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.4 m -105.46 -30.62 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.787 1.235 . . . . 0.0 112.272 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.3 m -56.98 -40.1 75.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.713 1.205 . . . . 0.0 111.219 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.0 78.71 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.586 0.755 . . . . 0.0 110.675 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.48 -42.37 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.26 -0.9 . . . . 0.0 111.457 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.32 -42.79 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.077 0.951 . . . . 0.0 111.163 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.89 -37.67 73.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.144 0.978 . . . . 0.0 110.48 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.01 -43.72 95.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.558 1.072 . . . . 0.0 112.306 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -59.59 -49.12 78.98 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.69 0.796 . . . . 0.0 111.042 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.018 0.927 . . . . 0.0 113.229 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.18 -49.26 72.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.191 -0.318 . . . . 0.0 111.792 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.77 -29.66 70.2 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.399 -0.813 . . . . 0.0 112.459 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -58.96 -44.74 91.51 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.774 1.17 . . . . 0.0 110.838 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -66.49 -41.86 88.29 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.202 0.601 . . . . 0.0 112.53 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.402 174.512 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.4 -49.13 70.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.148 0.979 . . . . 0.0 112.553 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -64.6 -43.97 92.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.97 -42.94 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.816 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.16 90.04 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.229 0.922 . . . . 0.0 112.625 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.19 -46.03 82.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.213 -0.93 . . . . 0.0 111.893 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.0 -34.62 78.52 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.314 0.646 . . . . 0.0 112.498 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -56.7 -51.78 67.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.449 1.5 . . . . 0.0 111.161 175.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.09 -45.49 88.45 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.821 0.848 . . . . 0.0 112.04 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.72 74.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -74.82 -49.95 18.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.538 1.063 . . . . 0.0 112.422 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -62.9 -17.47 61.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.76 0.824 . . . . 0.0 113.047 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.64 -20.73 35.38 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.597 1.559 . . . . 0.0 114.257 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' HG12 ' A' ' 35' ' ' VAL . 20.5 m-85 -132.22 11.34 4.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.249 1.42 . . . . 0.0 113.166 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 t0 . . . . . 0 CA--C 1.541 0.623 0 O-C-N 121.487 -0.758 . . . . 0.0 111.309 -174.54 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.14 34.83 7.36 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.672 -1.071 . . . . 0.0 115.122 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -137.76 152.58 49.33 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.3 1.55 . . . . 0.0 113.455 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 pt -125.83 169.21 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 126.514 1.926 . . . . 0.0 110.279 172.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -83.94 159.37 21.29 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.138 0.971 . . . . 0.0 112.23 169.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' HD13 ' A' ' 52' ' ' ILE . 34.1 p -60.65 -26.83 67.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.091 0.956 . . . . 0.0 112.361 169.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -71.46 -42.33 68.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 0.0 112.618 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -75.77 -14.53 60.32 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.36 -58.97 3.24 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.505 1.122 . . . . 0.0 111.804 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.69 -28.53 73.71 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.984 -0.448 . . . . 0.0 113.457 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -65.42 -38.41 89.85 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.126 0.963 . . . . 0.0 111.092 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.575 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.317 1.5 m -75.1 -35.07 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.314 172.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.0 mtp -58.91 -38.27 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.764 1.62 . . . . 0.0 112.163 170.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.9 -30.48 70.91 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.138 0.975 . . . . 0.0 112.822 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.9 t -67.07 -33.67 76.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.827 0.851 . . . . 0.0 112.502 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.28 5.5 8.43 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.086 0.954 . . . . 0.0 113.108 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 37.91 52.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 120.783 -1.198 . . . . 0.0 113.921 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -143.49 133.08 23.61 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.239 1.02 . . . . 0.0 111.127 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -114.95 87.85 15.92 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.624 1.17 . . . . 0.0 111.407 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -69.49 154.73 68.42 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.607 2.871 . . . . 0.0 112.513 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -82.82 166.45 18.98 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.634 -0.666 . . . . 0.0 112.542 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -62.41 -42.52 99.5 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.558 -1.339 . . . . 0.0 113.215 -175.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.71 -34.83 77.66 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.66 -0.65 . . . . 0.0 112.486 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -68.19 -42.42 79.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.01 -48.25 82.7 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.532 0.733 . . . . 0.0 111.339 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.49 -34.77 77.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.9 -37.85 89.01 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.052 0.842 . . . . 0.0 112.474 175.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -71.1 -41.36 70.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.352 -0.843 . . . . 0.0 111.699 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.42 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.7 mt -66.09 -27.24 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.856 0.862 . . . . 0.0 111.888 177.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -57.99 -34.86 70.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.085 1.312 . . . . 0.0 112.336 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -87.53 -40.44 14.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.952 0.901 . . . . 0.0 112.35 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -73.81 -38.16 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.128 1.371 . . . . 0.0 113.264 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -123.63 51.85 1.47 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.148 1.779 . . . . 0.0 112.423 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.8 63.17 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.251 -0.905 . . . . 0.0 113.34 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.05 -19.92 58.2 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.004 1.322 . . . . 0.0 113.835 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.71 30.11 70.84 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.376 0.989 . . . . 0.0 114.021 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -18.79 58.23 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.439 1.496 . . . . 0.0 113.202 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.13 79.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.946 1.736 . . . . 0.0 115.88 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.9 p -134.87 159.14 42.35 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.159 1.479 . . . . 0.0 114.029 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.0 mt -138.8 135.79 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.466 2.306 . . . . 0.0 108.461 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.36 157.4 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.929 0.786 . . . . 0.0 111.512 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -46.3 -56.21 11.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.523 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -68.93 -21.38 37.55 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.115 1.877 . . . . 0.0 113.587 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -74.05 -39.22 63.65 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.474 -0.766 . . . . 0.0 111.373 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.34 -39.18 89.61 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.396 -0.815 . . . . 0.0 112.233 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.22 -22.82 63.48 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -37.84 88.06 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.836 0.744 . . . . 0.0 112.629 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.91 -36.08 23.6 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.9 -0.5 . . . . 0.0 111.367 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.8 mmm -62.41 -28.0 69.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.252 0.933 . . . . 0.0 113.053 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 123.587 0.755 . . . . 0.0 112.408 169.085 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.76 -35.01 79.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.379 0.672 . . . . 0.0 112.049 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.36 -46.44 76.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.529 0.731 . . . . 0.0 111.451 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.6 mt -60.21 -46.27 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.96 0.904 . . . . 0.0 110.172 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -64.78 -38.19 90.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.953 0.901 . . . . 0.0 112.515 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.8 -43.84 71.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.236 1.015 . . . . 0.0 112.568 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.48 67.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.742 1.217 . . . . 0.0 113.241 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -76.78 -37.69 55.38 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.125 -0.984 . . . . 0.0 111.424 168.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.98 72.88 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.081 -1.012 . . . . 0.0 112.956 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.85 -11.4 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -105.57 -12.81 15.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.81 1.644 . . . . 0.0 113.778 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 124.718 1.207 . . . . 0.0 110.5 -175.789 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 CA-C-O 120.977 0.21 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.92 164.71 32.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -128.69 135.93 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.389 1.476 . . . . 0.0 108.877 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -68.18 147.04 52.82 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 120.583 -1.323 . . . . 0.0 112.112 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.92 -41.54 87.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.433 -0.792 . . . . 0.0 112.691 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.67 70.72 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.16 -48.22 45.06 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.96 0.904 . . . . 0.0 111.543 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.35 -35.73 76.19 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.662 0.664 . . . . 0.0 111.434 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -59.98 -42.75 94.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.614 1.097 . . . . 0.0 111.15 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.04 -59.51 5.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.882 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 m -58.37 -39.84 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 120.63 1.559 . . . . 0.0 111.984 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.25 -15.09 59.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -110.99 1.78 17.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -108.89 -27.62 9.61 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 176.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 mt -134.6 140.61 46.21 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.725 1.21 . . . . 0.0 110.696 -169.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.02 -146.0 26.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 114.83 0.692 . . . . 0.0 114.83 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.98 -17.59 63.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 60.55 119.6 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.792 2.837 . . . . 0.0 112.705 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.0 mt -78.14 147.8 34.41 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.433 -0.792 . . . . 0.0 110.953 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -68.2 161.09 27.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.472 1.109 . . . . 0.0 110.552 172.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -54.46 -43.89 72.09 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.21 -23.04 35.63 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.186 -0.946 . . . . 0.0 112.774 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -75.17 -40.84 59.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.367 1.467 . . . . 0.0 112.1 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.14 -33.82 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.27 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -69.91 -35.06 74.28 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.387 -0.821 . . . . 0.0 112.294 171.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.92 -33.6 73.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.919 0.782 . . . . 0.0 111.348 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -64.8 -55.4 19.87 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.594 172.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -56.91 -37.67 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.621 1.101 . . . . 0.0 111.487 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -55.73 -33.66 64.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.57 1.148 . . . . 0.0 114.046 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -110.39 -19.03 13.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.062 1.345 . . . . 0.0 114.431 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -82.11 -34.01 29.47 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.318 1.847 . . . . 0.0 113.012 175.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.7 t0 . . . . . 0 N--CA 1.473 0.7 0 C-N-CA 124.634 1.173 . . . . 0.0 111.52 175.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.306 0 N-CA-C 115.101 0.8 . . . . 0.0 115.101 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -125.41 103.18 7.77 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.0 1.4 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.573 HG13 ' HB1' ' A' ' 128' ' ' ALA . 27.0 t -71.46 123.33 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 110.427 171.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.66 99.97 12.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.136 0.969 . . . . 0.0 109.433 168.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.96 -24.82 63.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.911 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.47 -31.79 69.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.945 1.248 . . . . 0.0 112.174 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.78 -42.01 58.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.591 -0.693 . . . . 0.0 110.532 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.56 -40.33 92.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.294 1.038 . . . . 0.0 113.685 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.25 -43.27 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.179 -0.951 . . . . 0.0 111.599 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.986 0.914 . . . . 0.0 112.079 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.4 ttp -69.4 -48.49 60.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.675 0.79 . . . . 0.0 112.698 173.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.48 -38.9 92.9 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.436 -0.79 . . . . 0.0 112.3 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 179.024 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.7 -45.66 74.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 112.247 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -67.39 -26.17 66.32 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.4 m -98.56 -32.58 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.694 1.198 . . . . 0.0 111.823 -175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -57.51 -40.1 77.96 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.167 1.387 . . . . 0.0 111.395 170.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.76 70.07 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.904 -0.497 . . . . 0.0 111.303 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.57 -39.14 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.007 -1.058 . . . . 0.0 111.74 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.97 -40.07 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.867 0.867 . . . . 0.0 110.959 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.6 mt -75.75 -40.89 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.434 1.094 . . . . 0.0 111.386 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.51 -48.77 76.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.621 1.168 . . . . 0.0 111.517 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -67.38 -42.65 83.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.595 1.158 . . . . 0.0 111.486 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.89 95.97 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.408 0.683 . . . . 0.0 112.441 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -66.17 -52.73 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.269 0.627 . . . . 0.0 112.219 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.885 0.874 . . . . 0.0 112.404 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -69.17 -46.5 67.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.941 0.791 . . . . 0.0 111.242 169.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.8 -32.87 73.19 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 CA--C 1.545 0.773 0 O-C-N 121.153 -0.967 . . . . 0.0 112.712 173.422 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.16 -44.77 64.85 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.125 0.97 . . . . 0.0 111.967 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -62.04 -44.22 97.16 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.457 0.703 . . . . 0.0 111.062 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.08 -45.3 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.011 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.96 78.31 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.881 1.219 . . . . 0.0 112.969 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.4 -44.88 89.87 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.965 -1.084 . . . . 0.0 111.653 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.0 -35.48 80.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.722 0.809 . . . . 0.0 112.403 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -57.16 -51.17 70.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.646 1.578 . . . . 0.0 110.714 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -63.42 -50.8 68.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.257 0.623 . . . . 0.0 111.849 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.3 75.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -72.82 -49.3 31.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.232 1.013 . . . . 0.0 111.551 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.3 t -59.89 -26.98 66.32 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.6 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.27 -21.08 21.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.227 1.411 . . . . 0.0 114.17 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD1' HG22 ' A' ' 35' ' ' VAL . 50.1 m-85 -121.2 5.21 10.29 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.935 1.694 . . . . 0.0 113.136 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.451 1.5 . . . . 0.0 110.739 174.725 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 23.22 60.21 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.889 1.233 . . . . 0.0 114.538 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -142.31 160.93 39.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.846 1.258 . . . . 0.0 113.024 -174.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -135.15 171.76 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.617 1.967 . . . . 0.0 110.605 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -83.35 160.88 21.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 122.272 1.034 . . . . 0.0 112.773 169.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.7 p -62.83 -21.29 65.82 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.419 1.088 . . . . 0.0 113.538 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -83.84 -38.53 21.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.291 0.95 . . . . 0.0 112.91 171.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.42 -20.13 65.48 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.53 5.84 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.795 1.238 . . . . 0.0 111.786 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.03 -27.68 73.05 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.375 -0.828 . . . . 0.0 113.134 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -69.52 -39.84 77.28 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.233 1.013 . . . . 0.0 111.771 172.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG22 ' CD1' ' A' ' 19' ' ' PHE . 48.3 t -63.85 -41.9 94.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.076 0.95 . . . . 0.0 110.866 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.8 mtp -62.29 -42.72 99.59 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.276 -0.89 . . . . 0.0 112.022 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -62.89 -33.79 76.05 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.233 1.013 . . . . 0.0 112.565 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -63.72 -28.44 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.937 0.895 . . . . 0.0 112.754 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.34 8.84 22.63 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.039 1.735 . . . . 0.0 113.545 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.22 2.5 89.15 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.372 1.463 . . . . 0.0 115.48 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -99.66 118.11 35.48 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.048 1.339 . . . . 0.0 110.16 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -104.29 90.27 3.08 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.669 0.788 . . . . 0.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.07 160.19 48.11 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.049 3.166 . . . . 0.0 112.931 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -79.5 151.64 30.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.99 -40.23 97.12 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.14 -1.6 . . . . 0.0 112.947 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.25 72.23 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.805 0.842 . . . . 0.0 112.903 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -68.75 -42.63 77.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.542 1.137 . . . . 0.0 111.482 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.38 -49.71 76.26 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.664 0.786 . . . . 0.0 110.721 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.35 -39.93 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.775 0.83 . . . . 0.0 112.361 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.73 -42.47 95.18 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.971 0.909 . . . . 0.0 112.634 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.2 mtm -68.14 -40.77 82.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.4 -0.812 . . . . 0.0 112.101 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.25 -29.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.237 1.015 . . . . 0.0 111.985 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.9 -26.84 67.73 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.042 1.292 . . . . 0.0 113.251 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -90.95 -47.11 7.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.894 0.878 . . . . 0.0 112.321 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.79 -35.5 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.852 1.261 . . . . 0.0 113.144 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -115.85 46.83 1.46 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.251 1.82 . . . . 0.0 111.948 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -26.46 63.38 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -85.42 -5.12 59.32 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 114.326 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.91 39.4 59.27 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.423 1.011 . . . . 0.0 115.3 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.42 -21.85 55.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.992 1.317 . . . . 0.0 113.332 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.46 17.44 76.26 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.832 1.682 . . . . 0.0 113.818 -169.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -139.36 162.13 35.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.564 1.545 . . . . 0.0 113.092 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mt -140.57 136.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.78 2.032 . . . . 0.0 109.186 -173.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.98 155.62 18.98 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.474 0.709 . . . . 0.0 111.486 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.46 -51.62 19.8 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.66 -27.91 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.989 1.792 . . . . 0.0 113.804 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.07 -25.39 58.57 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.2 -0.938 . . . . 0.0 112.147 174.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -72.35 -47.03 52.75 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.441 -0.787 . . . . 0.0 110.794 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.93 -31.56 71.89 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.409 -0.807 . . . . 0.0 112.327 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -50.88 -42.94 59.42 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.44 1.496 . . . . 0.0 112.762 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.6 ptp -84.37 -34.17 23.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.234 0.925 . . . . 0.0 113.025 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.8 mmm -63.05 -31.62 72.8 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.84 -0.537 . . . . 0.0 111.897 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 123.79 0.836 . . . . 0.0 112.375 170.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -70.39 -29.29 65.89 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.038 -1.039 . . . . 0.0 112.43 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.46 -46.84 81.35 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.402 -0.811 . . . . 0.0 111.064 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -47.27 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.741 1.216 . . . . 0.0 110.235 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.54 -41.97 99.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.763 0.825 . . . . 0.0 112.486 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.69 -44.73 77.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.824 0.85 . . . . 0.0 112.225 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.16 66.88 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 113.528 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.67 -42.74 33.56 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.092 -1.005 . . . . 0.0 111.426 168.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -62.77 -24.35 67.68 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.9 m -70.24 -19.82 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -95.26 -22.96 17.46 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 112.978 172.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 124.959 1.304 . . . . 0.0 110.945 177.367 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.382 0 N-CA-C 113.627 0.211 . . . . 0.0 113.627 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.57 163.42 34.84 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.101 1.36 . . . . 0.0 111.039 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -130.03 143.7 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.716 2.006 . . . . 0.0 108.369 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 p -68.26 149.69 49.17 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.122 -1.611 . . . . 0.0 111.576 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.945 -1.097 . . . . 0.0 111.952 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.21 90.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.747 0.819 . . . . 0.0 112.286 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.66 -43.55 75.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.89 0.876 . . . . 0.0 112.245 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.65 -41.01 72.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.063 0.847 . . . . 0.0 111.275 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -59.77 -40.9 89.75 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.454 1.024 . . . . 0.0 111.648 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.97 -63.17 1.3 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.133 0.573 . . . . 0.0 110.576 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.819 HG23 HD12 ' A' ' 112' ' ' LEU . 12.0 p -64.62 -33.63 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.641 1.11 . . . . 0.0 112.944 -172.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.4 mmt -71.2 -11.56 61.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 p -124.39 -2.46 8.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -97.06 -40.32 8.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.833 2.053 . . . . 0.0 111.406 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 108' ' ' VAL . 37.4 mt -123.6 159.38 29.36 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.678 1.591 . . . . 0.0 111.692 -169.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 68.16 -149.46 50.11 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.259 -0.882 . . . . 0.0 114.354 -171.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -71.63 -14.58 62.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.867 1.667 . . . . 0.0 113.623 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.82 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.82 2.848 . . . . 0.0 112.994 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.27 156.46 37.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.884 0.873 . . . . 0.0 112.658 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -66.7 157.05 33.67 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.313 0.645 . . . . 0.0 110.234 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.88 -46.77 71.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.696 1.198 . . . . 0.0 113.971 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -74.54 -27.45 60.52 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.233 -0.917 . . . . 0.0 112.546 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -74.41 -39.89 62.36 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.697 1.199 . . . . 0.0 111.705 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.89 -33.4 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.424 0.69 . . . . 0.0 112.009 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.56 -36.24 80.57 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.675 -1.266 . . . . 0.0 112.009 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -33.19 72.22 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.372 -0.83 . . . . 0.0 112.022 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -64.05 -54.22 37.65 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.508 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.46 -40.05 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.966 . . . . 0.0 111.221 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -54.4 -32.94 58.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.786 1.234 . . . . 0.0 113.938 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -109.82 -25.11 10.51 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.712 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -78.53 -35.53 46.09 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.368 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.478 0.932 0 C-N-CA 125.964 1.705 . . . . 0.0 111.155 170.186 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.244 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -125.01 87.6 2.74 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.758 1.623 . . . . 0.0 108.792 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.712 HG13 ' HB1' ' A' ' 128' ' ' ALA . 16.2 t -63.1 122.0 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 110.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -94.1 97.39 10.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.939 0.876 . . . . 0.0 111.023 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.93 -26.79 65.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.933 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.8 -34.91 79.47 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.877 1.217 . . . . 0.0 112.066 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -75.45 -43.25 50.54 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.121 -0.987 . . . . 0.0 111.267 169.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.05 -45.17 93.5 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.403 1.081 . . . . 0.0 113.072 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.65 -38.91 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.751 1.159 . . . . 0.0 111.875 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -68.1 -43.06 79.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.569 0.748 . . . . 0.0 112.053 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.8 ttp -64.8 -47.46 78.0 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.533 0.733 . . . . 0.0 112.066 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.28 -25.96 67.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.003 1.721 . . . . 0.0 112.679 -173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 125.215 1.406 . . . . 0.0 114.489 173.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 47.7 tt0 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.27 -45.08 72.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.425 1.09 . . . . 0.0 111.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 112' ' ' LEU . 41.0 tt0 -66.94 -25.61 66.43 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.9 m -103.44 -28.63 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.656 1.182 . . . . 0.0 112.342 -173.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.4 m -58.52 -38.83 78.56 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.372 1.069 . . . . 0.0 110.635 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.39 -41.92 77.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.508 0.723 . . . . 0.0 110.407 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.3 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.082 -1.011 . . . . 0.0 112.353 -176.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.2 mt -59.65 -42.64 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.143 0.977 . . . . 0.0 110.94 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.11 -39.69 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.409 1.084 . . . . 0.0 110.982 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.2 -45.62 92.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.692 1.133 . . . . 0.0 111.447 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -58.18 -54.21 49.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.697 1.199 . . . . 0.0 110.739 174.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.97 85.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.4 t80 -63.71 -54.5 34.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.409 0.684 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.57 -26.94 66.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.958 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -63.29 -47.83 80.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.854 1.661 . . . . 0.0 110.862 168.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.47 -37.48 86.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.594 0.758 . . . . 0.0 112.053 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 CA--C 1.537 0.448 0 O-C-N 121.116 -0.99 . . . . 0.0 113.005 174.097 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -65.89 -36.34 83.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.414 1.085 . . . . 0.0 112.994 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -74.43 -45.58 45.56 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.317 0.647 . . . . 0.0 111.042 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.33 -44.93 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.021 0.929 . . . . 0.0 111.057 -176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.98 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.5 -44.58 67.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 111.482 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -63.95 -34.04 77.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.34 0.656 . . . . 0.0 112.395 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -54.34 -49.79 68.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.8 1.64 . . . . 0.0 111.746 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.81 -50.46 62.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.619 0.767 . . . . 0.0 111.708 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.0 72.83 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -75.25 -48.71 22.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.127 0.876 . . . . 0.0 112.139 175.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.89 -25.28 64.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.09 0.956 . . . . 0.0 112.656 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.85 -21.02 6.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.894 1.678 . . . . 0.0 114.619 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HG12 ' A' ' 35' ' ' VAL . 15.6 m-85 -131.72 11.64 4.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.55 1.54 . . . . 0.0 112.938 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.541 0.601 0 O-C-N 121.409 -0.807 . . . . 0.0 110.932 -176.471 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 CA--C 1.546 0.805 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.43 29.77 13.5 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.199 -0.938 . . . . 0.0 114.445 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -139.1 149.45 44.56 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.912 1.356 . . . . 0.0 113.294 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -118.94 169.71 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.304 1.842 . . . . 0.0 110.147 171.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -83.95 158.61 21.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.191 0.996 . . . . 0.0 112.175 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -62.67 -22.02 66.16 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.283 1.033 . . . . 0.0 112.815 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.94 -42.54 48.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 112.966 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.01 -15.68 60.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.59 -60.45 2.18 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.732 1.213 . . . . 0.0 112.129 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.63 -26.34 69.71 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 122.038 -0.414 . . . . 0.0 113.402 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -69.0 -40.29 78.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.09 0.956 . . . . 0.0 111.204 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.295 1.8 m -72.45 -31.29 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.375 -0.828 . . . . 0.0 112.2 173.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.01 -43.08 99.75 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.096 -1.002 . . . . 0.0 111.331 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -64.41 -34.36 77.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.269 1.028 . . . . 0.0 112.365 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 t -61.74 -36.1 80.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.766 0.826 . . . . 0.0 112.176 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.41 7.97 8.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.795 1.638 . . . . 0.0 114.158 170.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.31 4.72 89.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.141 1.353 . . . . 0.0 115.786 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -102.47 124.56 48.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.033 1.416 . . . . 0.0 110.472 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -109.87 87.03 5.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 123.938 0.895 . . . . 0.0 111.017 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.73 152.77 64.53 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.21 3.273 . . . . 0.0 112.907 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -73.08 151.64 41.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.449 1.1 . . . . 0.0 110.373 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -59.69 -35.13 73.86 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.503 -1.373 . . . . 0.0 112.817 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.51 94.39 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.048 0.939 . . . . 0.0 112.44 173.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.18 -44.28 95.86 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.659 -0.651 . . . . 0.0 111.112 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.42 -48.3 82.17 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.37 0.532 . . . . 0.0 111.385 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -62.27 -39.37 92.7 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.464 1.029 . . . . 0.0 112.391 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -65.8 -38.49 89.12 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.454 -0.779 . . . . 0.0 113.084 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -70.53 -41.04 73.06 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.453 -0.78 . . . . 0.0 111.633 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.526 ' HA ' HG22 ' A' ' 55' ' ' VAL . 54.2 mt -71.91 -22.13 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 121.363 -0.836 . . . . 0.0 112.857 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.95 -29.19 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.044 -1.035 . . . . 0.0 111.35 168.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -89.46 -47.5 7.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.408 1.083 . . . . 0.0 112.706 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 52' ' ' ILE . 16.4 m -76.17 -14.99 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -140.04 52.48 1.68 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.197 0.999 . . . . 0.0 112.612 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.01 -23.66 63.85 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 174.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.67 -16.41 57.33 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.898 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.94 70.63 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.548 1.071 . . . . 0.0 114.879 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -76.76 -17.38 59.09 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 118.584 1.192 . . . . 0.0 113.798 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.08 16.7 76.12 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.522 1.534 . . . . 0.0 114.587 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -134.41 159.23 41.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.019 1.327 . . . . 0.0 113.774 -176.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 mt -139.12 137.12 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 127.366 2.266 . . . . 0.0 108.378 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.52 157.29 19.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.956 0.798 . . . . 0.0 111.905 173.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -47.71 -55.67 16.21 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.04 -21.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.975 1.783 . . . . 0.0 113.327 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' HG3' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -70.97 -41.09 71.49 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.712 0.687 . . . . 0.0 111.168 172.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.63 -40.22 94.09 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.362 -0.837 . . . . 0.0 112.634 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.96 -25.04 66.54 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -37.08 78.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.549 0.74 . . . . 0.0 112.817 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -84.29 -33.7 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.922 -0.486 . . . . 0.0 112.035 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -64.17 -28.77 69.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 170.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.76 -35.84 77.59 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.609 -0.682 . . . . 0.0 111.851 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -68.14 -42.37 80.23 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.956 0.902 . . . . 0.0 111.691 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.94 -45.37 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.011 0.924 . . . . 0.0 110.327 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -60.58 -44.19 96.48 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.48 1.036 . . . . 0.0 112.425 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -62.92 -42.92 99.95 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.902 0.774 . . . . 0.0 112.569 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.12 68.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.942 1.297 . . . . 0.0 113.632 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.07 -41.95 57.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.918 -1.114 . . . . 0.0 112.23 171.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -57.34 -29.3 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -74.79 -12.32 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.5 m-85 -100.47 -22.77 14.91 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.886 1.275 . . . . 0.0 112.978 169.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 124.428 1.091 . . . . 0.0 110.295 175.062 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.416 0 N-CA-C 113.928 0.331 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.01 166.34 31.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.289 1.436 . . . . 0.0 110.513 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -129.64 138.05 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.504 1.521 . . . . 0.0 109.166 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -65.08 140.3 58.81 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.879 -1.138 . . . . 0.0 110.987 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.98 86.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.295 -0.878 . . . . 0.0 112.605 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -75.04 -43.32 54.2 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.379 -0.826 . . . . 0.0 111.821 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.54 -38.97 84.97 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.03 0.832 . . . . 0.0 110.741 174.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttt-85 -62.24 -37.7 86.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.561 0.744 . . . . 0.0 112.247 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -57.96 -64.76 0.8 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.617 0.644 . . . . 0.0 110.298 170.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.695 HG23 HD12 ' A' ' 112' ' ' LEU . 11.3 p -63.22 -39.69 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.733 0.697 . . . . 0.0 112.559 -171.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -66.24 -16.38 63.96 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.6 p -115.57 3.18 13.95 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -116.05 -29.93 6.17 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.171 1.388 . . . . 0.0 113.975 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.695 HD12 HG23 ' A' ' 108' ' ' VAL . 23.7 mt -131.82 137.78 48.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.823 1.249 . . . . 0.0 110.026 -172.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.62 -146.56 30.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.9 8.57 1.93 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 39.88 103.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 129.908 3.283 . . . . 0.0 114.332 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.74 142.3 58.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.184 -0.947 . . . . 0.0 110.39 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.772 0.829 . . . . 0.0 109.975 173.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.0 -51.98 59.9 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.667 -1.271 . . . . 0.0 114.311 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -71.57 -21.71 61.84 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.985 -1.072 . . . . 0.0 113.179 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -78.43 -41.87 31.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.674 1.19 . . . . 0.0 111.884 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 p -72.57 -34.36 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 123.919 0.888 . . . . 0.0 110.543 173.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.24 -40.65 94.31 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.542 -0.724 . . . . 0.0 111.285 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -57.81 -39.97 78.85 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.863 0.756 . . . . 0.0 111.462 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.2 ttm -58.95 -54.46 46.89 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.934 170.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.4 mm -58.06 -38.41 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 121.349 1.886 . . . . 0.0 111.713 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -57.35 -27.46 62.27 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.43 -17.75 9.99 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.563 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -81.01 -33.83 33.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.189 2.195 . . . . 0.0 112.429 172.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t0 . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 124.429 1.091 . . . . 0.0 111.61 171.103 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.292 0 N-CA-C 114.209 0.444 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -126.92 99.89 5.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.578 1.551 . . . . 0.0 110.671 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.563 HG13 ' HB1' ' A' ' 128' ' ' ALA . 14.0 t -74.58 128.38 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.669 -0.645 . . . . 0.0 110.247 171.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -97.76 99.89 11.25 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.97 0.891 . . . . 0.0 111.007 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -70.06 -25.93 63.77 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.144 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.93 -32.6 72.33 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.904 1.229 . . . . 0.0 112.246 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -75.07 -42.49 56.74 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 110.518 168.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.92 -43.93 94.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.368 1.067 . . . . 0.0 113.65 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.03 -43.69 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.14 0.976 . . . . 0.0 111.711 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -66.32 -39.14 89.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.373 0.669 . . . . 0.0 111.558 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.1 ttp -64.28 -46.28 84.35 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.633 -0.667 . . . . 0.0 112.665 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.2 mtm -65.41 -43.19 91.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.754 0.706 . . . . 0.0 112.01 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 114.287 1.218 . . . . 0.0 114.287 -177.281 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 N--CA 1.468 0.457 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -52.02 -44.53 64.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.841 1.256 . . . . 0.0 112.611 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.27 -22.2 62.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -104.38 -30.66 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.834 1.253 . . . . 0.0 111.886 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 37.1 m -56.47 -40.34 74.72 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.338 1.455 . . . . 0.0 111.508 169.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.69 75.55 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.862 -0.524 . . . . 0.0 110.331 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.37 -43.38 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.084 -1.01 . . . . 0.0 111.377 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.8 mt -55.4 -43.54 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.375 1.07 . . . . 0.0 111.598 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.23 -36.34 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.797 0.839 . . . . 0.0 110.899 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.17 -43.54 98.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.772 1.169 . . . . 0.0 111.695 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.37 -49.17 78.83 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.925 0.89 . . . . 0.0 110.638 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.42 97.3 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.869 0.867 . . . . 0.0 112.653 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.5 -51.46 42.99 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -66.8 -24.72 66.21 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.49 -0.756 . . . . 0.0 112.877 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -47.09 65.69 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.713 0.805 . . . . 0.0 110.82 168.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.38 -36.53 78.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.109 0.964 . . . . 0.0 112.949 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 CA--C 1.549 0.907 0 CA-C-N 119.276 0.944 . . . . 0.0 112.903 173.697 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.64 -44.14 74.82 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.941 0.896 . . . . 0.0 112.148 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.41 -43.62 98.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.268 0.627 . . . . 0.0 111.139 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.61 -44.74 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.782 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.0 75.88 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.501 1.046 . . . . 0.0 113.2 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.7 -46.68 78.09 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 111.723 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -67.18 -34.23 77.08 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.735 -0.603 . . . . 0.0 112.405 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.3 -50.24 73.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.352 1.461 . . . . 0.0 110.917 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.77 -51.21 68.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.287 0.635 . . . . 0.0 111.92 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.9 -33.15 75.05 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -74.99 -46.95 31.77 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.242 0.928 . . . . 0.0 111.965 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -61.02 -22.66 64.76 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.509 1.124 . . . . 0.0 112.553 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.67 -21.31 17.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.726 1.611 . . . . 0.0 114.354 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.627 ' CD1' HG12 ' A' ' 35' ' ' VAL . 30.2 m-85 -126.08 2.19 7.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.657 1.583 . . . . 0.0 112.945 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.8 t0 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.559 176.816 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.45 24.82 55.85 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.838 1.209 . . . . 0.0 114.843 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 p -141.95 159.03 43.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.172 1.486 . . . . 0.0 113.825 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.4 pt -132.96 168.49 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 127.015 2.126 . . . . 0.0 110.046 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -79.54 159.29 26.95 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.309 1.052 . . . . 0.0 113.049 169.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.31 -26.32 67.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.38 1.072 . . . . 0.0 112.722 170.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.33 -41.35 73.34 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.311 1.044 . . . . 0.0 112.181 172.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.77 -18.06 61.02 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.19 -60.67 2.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.585 1.154 . . . . 0.0 111.623 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -30.17 77.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 122.096 -0.377 . . . . 0.0 113.263 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -64.37 -40.4 95.77 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.014 0.907 . . . . 0.0 111.145 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.627 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.325 1.3 m -74.92 -34.04 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.318 173.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.5 mtp -56.99 -41.11 77.85 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.922 1.692 . . . . 0.0 112.033 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -67.44 -22.11 65.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.295 1.038 . . . . 0.0 112.889 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -68.75 -34.63 75.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.163 0.892 . . . . 0.0 111.815 169.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.09 1.85 19.79 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.299 1.04 . . . . 0.0 113.069 168.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.96 82.27 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.561 1.553 . . . . 0.0 115.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.26 120.84 26.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.16 1.48 . . . . 0.0 110.12 172.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -103.94 92.77 4.7 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.543 0.737 . . . . 0.0 110.96 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.14 161.07 44.12 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.755 2.97 . . . . 0.0 112.225 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 t -91.73 162.75 14.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.651 0.78 . . . . 0.0 112.692 170.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.03 -42.92 99.89 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.692 -1.255 . . . . 0.0 113.052 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.21 78.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.253 0.621 . . . . 0.0 112.325 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.33 -43.2 82.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.1 1.36 . . . . 0.0 111.657 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.08 -46.57 89.14 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.883 -0.511 . . . . 0.0 111.205 171.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -59.86 -41.52 91.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.267 0.627 . . . . 0.0 112.224 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.99 -39.1 93.37 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.032 0.933 . . . . 0.0 113.141 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.9 mtm -72.54 -41.0 66.3 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.065 0.848 . . . . 0.0 112.191 174.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.8 -28.39 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.041 0.937 . . . . 0.0 111.654 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.905 1.23 . . . . 0.0 112.866 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.95 -48.98 7.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.134 0.974 . . . . 0.0 112.375 172.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.7 t -67.42 -37.89 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.91 1.284 . . . . 0.0 113.207 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -118.23 51.16 1.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.342 1.857 . . . . 0.0 111.749 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.83 -22.28 62.04 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.08 -1.012 . . . . 0.0 113.4 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -77.42 -16.68 58.69 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.779 1.232 . . . . 0.0 113.897 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.99 29.76 70.5 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.533 1.063 . . . . 0.0 114.574 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -76.56 -22.23 54.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.161 1.384 . . . . 0.0 113.687 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.93 15.38 72.81 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.597 1.57 . . . . 0.0 115.326 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -132.7 162.18 32.06 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.092 1.446 . . . . 0.0 113.987 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 mt -137.7 135.19 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.445 2.298 . . . . 0.0 108.209 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.2 157.16 18.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.207 0.603 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -56.59 9.79 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 117.944 -1.026 . . . . 0.0 113.546 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.39 -23.26 32.67 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 121.865 1.71 . . . . 0.0 113.624 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.5 -36.72 65.8 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.792 0.724 . . . . 0.0 111.568 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -63.72 -40.88 97.83 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.493 -0.754 . . . . 0.0 112.249 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.38 -20.79 63.42 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -43.15 97.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.293 0.951 . . . . 0.0 111.872 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -76.81 -35.17 57.77 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.943 -1.098 . . . . 0.0 111.675 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.01 -34.53 77.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.215 0.606 . . . . 0.0 112.004 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.454 1.102 . . . . 0.0 112.72 173.429 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.96 -32.65 74.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.964 0.905 . . . . 0.0 112.135 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.63 -47.57 21.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.804 1.242 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.95 -47.49 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.383 1.473 . . . . 0.0 110.427 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -62.2 -38.89 90.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.108 0.563 . . . . 0.0 112.091 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -75.76 -39.26 57.43 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -36.69 78.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.409 1.083 . . . . 0.0 112.286 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.69 -42.25 86.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.018 -1.051 . . . . 0.0 112.254 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -60.64 -25.45 66.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.069 -1.019 . . . . 0.0 113.402 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -66.38 -22.91 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.934 1.694 . . . . 0.0 113.139 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.585 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -99.63 -25.95 14.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.212 1.405 . . . . 0.0 113.429 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.715 1.206 . . . . 0.0 110.299 174.114 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -151.16 162.02 41.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.363 1.065 . . . . 0.0 112.427 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.3 mt -125.77 154.6 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.482 1.913 . . . . 0.0 109.421 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -75.67 143.22 42.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 119.885 -1.759 . . . . 0.0 111.44 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.19 -42.02 65.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.718 0.807 . . . . 0.0 112.758 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.33 80.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.614 0.766 . . . . 0.0 112.31 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -71.87 -42.94 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.51 0.724 . . . . 0.0 112.225 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.05 -39.6 75.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.046 0.839 . . . . 0.0 111.125 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -60.87 -40.32 92.54 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.01 0.823 . . . . 0.0 111.931 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.12 -63.31 1.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.809 0.732 . . . . 0.0 110.65 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.789 HG23 HD12 ' A' ' 112' ' ' LEU . 12.2 p -65.28 -36.57 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.197 0.908 . . . . 0.0 113.129 -171.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.0 mmt -67.97 -14.76 63.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.4 p -117.69 -2.71 11.37 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.245 1.018 . . . . 0.0 113.715 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -103.27 -38.53 7.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.677 1.591 . . . . 0.0 113.044 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.789 HD12 HG23 ' A' ' 108' ' ' VAL . 32.4 mt -126.84 139.7 52.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.809 1.244 . . . . 0.0 111.426 -168.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.59 -150.7 40.31 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 114.443 0.537 . . . . 0.0 114.443 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.1 49.2 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.855 1.662 . . . . 0.0 113.913 -172.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -4.47 108.1 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 130.841 3.657 . . . . 0.0 115.246 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.62 148.83 47.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.806 0.842 . . . . 0.0 112.0 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -68.81 161.18 29.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.914 0.886 . . . . 0.0 110.33 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.23 -45.21 80.05 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.695 -1.253 . . . . 0.0 114.262 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -76.05 -27.74 57.39 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.016 -1.053 . . . . 0.0 112.53 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -72.3 -41.8 66.2 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 111.729 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.2 -35.91 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.968 0.907 . . . . 0.0 111.503 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.46 -38.12 86.64 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.196 -0.94 . . . . 0.0 111.496 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.94 -33.81 67.38 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.086 0.857 . . . . 0.0 112.118 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.0 ttm -66.69 -49.31 66.53 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.15 0.58 . . . . 0.0 110.647 173.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.16 -42.63 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.918 0.781 . . . . 0.0 111.026 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -53.41 -34.75 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.801 1.24 . . . . 0.0 113.713 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -107.63 -22.55 12.47 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.03 -31.31 27.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.902 0.881 . . . . 0.0 113.043 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 125.242 1.417 . . . . 0.0 111.593 177.132 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 N-CA-C 114.628 0.611 . . . . 0.0 114.628 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.47 84.41 2.27 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.374 1.469 . . . . 0.0 109.313 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.74 109.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.898 1.279 . . . . 0.0 111.125 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -85.67 91.85 8.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 122.289 1.042 . . . . 0.0 110.379 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.402 ' HA ' ' HB3' ' A' ' 141' ' ' PHE . 1.8 p90 -64.81 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.697 -1.138 . . . . 0.0 112.917 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.2 -36.43 77.26 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.639 1.109 . . . . 0.0 111.962 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -73.76 -40.23 63.64 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.303 -0.873 . . . . 0.0 110.907 168.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 2.9 t80 -65.08 -41.13 95.31 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.342 1.057 . . . . 0.0 113.62 -176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.53 -41.92 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.315 0.961 . . . . 0.0 111.369 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.69 -43.56 93.14 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.124 0.57 . . . . 0.0 111.324 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -62.44 -47.69 82.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.589 -0.694 . . . . 0.0 112.526 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.8 mtm -63.09 -37.76 88.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.068 0.547 . . . . 0.0 112.056 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -177.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 120.886 0.374 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.16 -43.41 78.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.026 1.33 . . . . 0.0 111.69 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 112' ' ' LEU . 44.3 tt0 -64.19 -28.66 69.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.8 m -99.21 -30.41 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.482 1.113 . . . . 0.0 112.178 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -55.05 -39.79 69.58 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.396 1.078 . . . . 0.0 110.855 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 110.37 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.52 -38.42 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 120.943 -1.098 . . . . 0.0 112.164 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.9 mt -58.52 -43.87 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.021 0.929 . . . . 0.0 110.748 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.3 -39.24 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.363 1.065 . . . . 0.0 111.075 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -58.31 -45.96 87.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.493 1.117 . . . . 0.0 111.871 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -67.84 -44.34 77.43 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.17 0.988 . . . . 0.0 111.544 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.38 81.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.463 0.705 . . . . 0.0 112.801 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -66.55 -52.31 47.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.221 0.608 . . . . 0.0 112.216 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -63.76 -34.1 77.14 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.047 -1.033 . . . . 0.0 112.298 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.74 -36.55 76.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.867 1.212 . . . . 0.0 111.69 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.02 -41.52 70.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 171.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 CA--C 1.54 0.588 0 O-C-N 121.465 -0.772 . . . . 0.0 111.89 173.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -70.39 -38.77 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.844 0.858 . . . . 0.0 112.421 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -64.18 -47.11 81.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.723 0.809 . . . . 0.0 110.166 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.01 -46.31 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.153 0.981 . . . . 0.0 110.808 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.24 74.36 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.595 1.089 . . . . 0.0 113.284 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -68.38 -44.4 75.24 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.967 -1.083 . . . . 0.0 111.509 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -63.05 -37.29 86.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 112.074 171.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -60.18 -46.8 88.49 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 110.608 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.99 -45.25 93.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.911 0.884 . . . . 0.0 112.379 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.29 96.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -75.75 -46.6 30.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.821 0.737 . . . . 0.0 112.594 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.3 p -63.75 -17.09 62.68 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.8 -20.73 37.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.301 1.44 . . . . 0.0 113.967 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CD1' HG12 ' A' ' 35' ' ' VAL . 28.6 m-85 -126.4 -2.42 6.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.627 1.571 . . . . 0.0 113.083 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.8 t0 . . . . . 0 CA--C 1.547 0.86 0 O-C-N 120.967 -1.083 . . . . 0.0 110.641 174.525 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.9 25.1 39.03 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.66 1.124 . . . . 0.0 114.273 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -140.84 158.49 43.89 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 119.24 1.52 . . . . 0.0 114.138 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -132.42 171.71 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.845 2.058 . . . . 0.0 110.68 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -87.34 155.37 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.242 1.02 . . . . 0.0 112.967 170.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.48 -30.81 68.8 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 0.0 112.668 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.23 -28.18 65.06 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -82.05 -17.14 47.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.843 1.257 . . . . 0.0 113.578 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.51 -60.26 2.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.672 1.189 . . . . 0.0 111.436 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.5 -25.59 71.5 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.966 -0.459 . . . . 0.0 113.673 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.46 -43.03 82.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.912 0.885 . . . . 0.0 110.896 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.287 1.4 m -73.79 -28.49 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.899 173.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.3 mtp -62.46 -40.78 97.74 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.971 1.714 . . . . 0.0 111.863 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -59.22 -29.51 67.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.639 0.775 . . . . 0.0 112.51 172.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -66.89 -20.56 65.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.5 -1.03 57.88 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.963 1.305 . . . . 0.0 112.604 168.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.95 90.21 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.054 1.311 . . . . 0.0 114.636 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -92.23 120.96 33.3 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.736 1.268 . . . . 0.0 109.88 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.44 77.37 4.26 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 121.142 -0.974 . . . . 0.0 110.687 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -63.81 153.23 76.73 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.57 2.847 . . . . 0.0 112.759 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.1 m -78.68 152.28 31.73 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.304 1.041 . . . . 0.0 111.163 169.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.57 -36.65 69.56 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.893 -1.129 . . . . 0.0 113.825 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.551 0.74 . . . . 0.0 112.802 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.73 -45.11 72.35 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.411 0.685 . . . . 0.0 110.912 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.2 mt -58.2 -47.88 82.08 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.302 0.641 . . . . 0.0 111.3 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -63.26 -39.21 93.97 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.86 -42.54 97.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.971 0.805 . . . . 0.0 112.15 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.11 -39.68 93.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.487 -0.758 . . . . 0.0 111.948 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.03 -31.4 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.427 -0.796 . . . . 0.0 111.994 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.69 -28.55 69.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 120.352 1.433 . . . . 0.0 112.807 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -80.59 -47.25 14.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.576 0.75 . . . . 0.0 112.244 170.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 t -73.93 -49.31 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.826 1.251 . . . . 0.0 113.462 -174.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -95.66 48.43 1.14 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 112.104 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -24.27 65.31 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.077 -1.014 . . . . 0.0 113.265 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -78.76 -13.19 59.95 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.868 1.267 . . . . 0.0 113.942 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.02 73.41 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.717 1.151 . . . . 0.0 114.782 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -81.32 -15.69 54.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.744 1.217 . . . . 0.0 113.821 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.92 20.32 76.22 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.737 1.16 . . . . 0.0 114.379 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.5 p -135.03 160.04 39.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.88 1.272 . . . . 0.0 113.858 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.3 mt -139.86 133.98 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.198 2.199 . . . . 0.0 108.41 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 155.9 19.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.974 170.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -47.37 -54.55 21.02 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.21 -23.55 33.19 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.106 1.871 . . . . 0.0 113.496 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.77 -36.73 65.12 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.489 -0.757 . . . . 0.0 111.549 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -62.48 -41.04 98.52 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.442 -0.786 . . . . 0.0 111.755 171.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.34 -21.62 64.18 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -35.88 77.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.085 0.857 . . . . 0.0 112.551 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.51 -33.13 23.61 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.3 0.5 . . . . 0.0 112.101 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.81 -18.87 65.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.296 1.039 . . . . 0.0 113.423 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 CA-C-N 118.928 0.785 . . . . 0.0 112.768 168.13 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -66.08 -32.99 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.577 -0.702 . . . . 0.0 112.032 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -47.46 76.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.689 0.796 . . . . 0.0 111.042 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.02 -47.25 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 124.628 1.171 . . . . 0.0 110.947 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG2' HG11 ' A' ' 142' ' ' VAL . 78.6 mtt-85 -56.97 -46.9 81.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.195 0.907 . . . . 0.0 111.799 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -70.63 -40.25 73.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.528 0.604 . . . . 0.0 112.557 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -35.74 79.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.824 0.849 . . . . 0.0 112.756 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.95 -43.92 77.95 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.148 -0.97 . . . . 0.0 112.159 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -59.28 -27.98 66.34 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 113.005 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.7 t -60.3 -32.76 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.269 1.428 . . . . 0.0 112.583 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 15.6 m-85 -93.79 -9.9 35.96 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.4 t0 . . . . . 0 N--CA 1.474 0.744 0 CA-C-N 119.479 1.036 . . . . 0.0 110.54 -178.646 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 N-CA-C 114.3 0.48 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -150.51 169.0 22.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.679 1.591 . . . . 0.0 110.171 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -129.96 139.32 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.556 1.542 . . . . 0.0 109.051 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -67.03 140.32 57.67 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.698 -1.252 . . . . 0.0 111.007 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.17 89.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.948 -1.095 . . . . 0.0 112.959 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.47 72.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.516 0.726 . . . . 0.0 112.87 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -73.11 -42.3 63.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 111.737 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.63 -41.69 79.11 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.486 0.584 . . . . 0.0 110.832 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -60.01 -39.68 86.64 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.945 0.793 . . . . 0.0 112.058 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -56.66 -63.33 1.24 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.961 0.8 . . . . 0.0 110.644 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.932 HG23 HD12 ' A' ' 112' ' ' LEU . 14.6 p -63.51 -36.83 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.053 0.842 . . . . 0.0 112.776 -172.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -68.0 -14.79 63.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -120.46 -3.12 9.92 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.499 1.12 . . . . 0.0 113.882 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -99.2 -33.94 10.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.438 1.895 . . . . 0.0 112.64 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.932 HD12 HG23 ' A' ' 108' ' ' VAL . 25.6 mt -128.28 160.84 30.9 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.421 1.488 . . . . 0.0 111.123 -169.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.79 -141.28 32.97 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.688 0.605 . . . . 0.0 114.324 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.55 -18.0 61.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.027 1.331 . . . . 0.0 112.742 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? 62.24 106.57 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.424 2.689 . . . . 0.0 112.745 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.51 153.47 42.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.705 0.802 . . . . 0.0 111.822 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.86 159.86 27.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.735 0.814 . . . . 0.0 110.65 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -55.07 -41.41 71.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.891 1.276 . . . . 0.0 114.153 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.72 -32.17 35.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.294 -0.879 . . . . 0.0 112.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -65.83 -41.74 91.4 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.202 -0.936 . . . . 0.0 111.343 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.91 -34.42 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.252 -0.905 . . . . 0.0 112.559 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -69.98 -34.33 73.23 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.977 -1.077 . . . . 0.0 112.36 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.77 -25.9 68.39 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 112.486 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -68.38 -55.23 12.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.554 0.616 . . . . 0.0 109.751 170.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.25 -34.67 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.575 0.625 . . . . 0.0 111.429 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -49.16 -42.56 40.07 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.365 . . . . 0.0 113.11 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -42.93 9.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.337 0.655 . . . . 0.0 111.844 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -68.16 -37.4 80.97 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.997 1.719 . . . . 0.0 113.327 -168.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.362 1.465 . . . . 0.0 111.325 174.44 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.18 0 N-CA-C 114.17 0.428 . . . . 0.0 114.17 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.49 86.17 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.178 1.391 . . . . 0.0 109.915 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.624 HG13 ' HB1' ' A' ' 128' ' ' ALA . 25.4 t -64.45 120.63 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 O-C-N 121.815 -0.553 . . . . 0.0 110.047 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -97.72 90.0 4.83 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.42 1.105 . . . . 0.0 110.87 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -61.62 -28.51 69.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.509 -1.223 . . . . 0.0 113.501 -174.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -26.44 67.99 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.129 0.877 . . . . 0.0 112.534 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.59 -41.95 15.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.138 0.975 . . . . 0.0 111.246 168.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.71 -41.15 98.99 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.093 0.957 . . . . 0.0 113.145 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.443 HG11 ' HG2' ' A' ' 86' ' ' ARG . 12.6 p -59.73 -42.4 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.543 1.137 . . . . 0.0 112.201 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.57 -38.59 87.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.981 0.912 . . . . 0.0 111.727 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.0 ttp -67.82 -45.66 74.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.853 0.861 . . . . 0.0 112.348 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.5 -48.06 81.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.05 0.54 . . . . 0.0 111.874 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.765 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.9 tp60 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.27 -46.47 85.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.771 1.228 . . . . 0.0 112.239 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.504 ' HA ' HD13 ' A' ' 112' ' ' LEU . 54.0 tt0 -66.8 -26.2 66.83 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.8 m -98.4 -31.75 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.285 1.034 . . . . 0.0 112.316 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 55.5 m -57.3 -40.41 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.576 1.15 . . . . 0.0 110.848 170.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.17 81.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 0.0 110.351 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.05 -39.52 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.0 0.92 . . . . 0.0 111.965 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.8 mt -59.19 -44.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.549 1.139 . . . . 0.0 111.339 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.19 -37.73 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.052 0.941 . . . . 0.0 110.095 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.64 -33.8 76.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.093 -1.004 . . . . 0.0 112.824 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -65.49 -54.4 28.77 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.943 0.792 . . . . 0.0 110.603 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.32 78.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.331 1.053 . . . . 0.0 113.008 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.26 -53.29 46.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -26.85 61.3 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.92 -1.113 . . . . 0.0 111.818 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 32.5 tpt85 -61.5 -40.87 96.16 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.76 0.709 . . . . 0.0 110.944 169.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.22 -41.28 85.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.987 0.915 . . . . 0.0 112.963 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.468 0.434 0 CA-C-N 118.655 0.661 . . . . 0.0 111.204 172.623 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -64.56 -46.67 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.85 1.26 . . . . 0.0 112.128 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.35 -37.88 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.042 0.837 . . . . 0.0 112.493 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mt -64.72 -45.06 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.017 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.31 74.92 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.504 1.047 . . . . 0.0 113.006 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.1 -47.92 82.49 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.27 -0.894 . . . . 0.0 111.382 171.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -70.13 -34.4 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.179 0.592 . . . . 0.0 112.462 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -54.49 -51.08 66.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.619 1.568 . . . . 0.0 110.944 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.38 -53.5 51.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.233 0.613 . . . . 0.0 111.656 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.18 72.28 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.59 -49.13 22.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.901 0.88 . . . . 0.0 111.597 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -61.21 -26.5 67.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 112.396 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.85 -22.61 26.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.398 1.479 . . . . 0.0 114.047 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD2' HG22 ' A' ' 35' ' ' VAL . 43.7 m-85 -119.04 2.77 11.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.981 1.712 . . . . 0.0 113.169 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 125.045 1.338 . . . . 0.0 110.662 172.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.77 25.03 57.2 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.054 -1.029 . . . . 0.0 113.528 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.9 p -142.1 161.23 38.52 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.273 1.429 . . . . 0.0 112.612 -172.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 pt -134.61 173.13 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.285 1.834 . . . . 0.0 110.588 172.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.5 p -85.43 158.24 20.26 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.262 1.029 . . . . 0.0 112.638 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.44 ' HB ' HD13 ' A' ' 52' ' ' ILE . 36.8 p -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.434 1.094 . . . . 0.0 112.369 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.89 -44.51 63.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.709 1.204 . . . . 0.0 112.565 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.53 -13.95 60.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.29 -58.2 4.91 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.807 1.243 . . . . 0.0 111.617 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -27.92 73.24 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 121.356 -0.84 . . . . 0.0 113.196 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -67.91 -41.3 82.89 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.394 1.097 . . . . 0.0 111.388 172.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 19' ' ' PHE . 55.3 t -64.86 -40.47 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.595 1.158 . . . . 0.0 111.116 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.5 mtp -62.38 -45.03 95.0 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 111.892 172.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -64.22 -30.94 71.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.181 0.993 . . . . 0.0 112.638 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -63.76 -29.41 70.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.124 0.97 . . . . 0.0 112.769 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.19 7.39 25.27 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.854 1.661 . . . . 0.0 113.37 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.7 86.05 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.457 1.504 . . . . 0.0 115.357 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -94.96 116.83 29.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.683 1.242 . . . . 0.0 110.294 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -102.41 94.58 5.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 121.491 -0.756 . . . . 0.0 110.863 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.1 156.91 55.17 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.404 3.403 . . . . 0.0 113.368 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.7 m -74.94 147.04 41.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 110.533 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.51 -35.71 81.35 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.371 -1.455 . . . . 0.0 113.292 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.51 72.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.34 -43.57 69.98 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.611 0.764 . . . . 0.0 111.222 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.66 -47.72 79.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.568 0.747 . . . . 0.0 111.176 171.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.0 -42.53 90.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.366 0.667 . . . . 0.0 112.117 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.21 -44.62 87.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.761 0.824 . . . . 0.0 112.549 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mtm -64.63 -39.72 94.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.44 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.5 mt -69.61 -31.8 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.444 -0.785 . . . . 0.0 111.427 175.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.4 -29.16 69.83 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.451 1.478 . . . . 0.0 112.887 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -74.97 -48.25 25.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.174 0.897 . . . . 0.0 111.93 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -77.43 -49.77 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -172.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -96.58 50.6 1.14 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.428 1.491 . . . . 0.0 112.265 -176.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.88 65.29 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.151 -0.968 . . . . 0.0 113.178 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.01 -13.76 59.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.908 1.283 . . . . 0.0 113.95 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.84 72.88 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.698 1.142 . . . . 0.0 114.791 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.97 -15.82 56.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.642 1.177 . . . . 0.0 113.916 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.34 18.34 74.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.921 1.248 . . . . 0.0 114.383 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.3 p -134.44 160.29 38.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.051 1.34 . . . . 0.0 113.787 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -139.9 136.5 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.051 2.14 . . . . 0.0 109.423 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.57 158.15 16.6 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.313 0.645 . . . . 0.0 111.622 171.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -41.95 -53.35 8.27 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.43 -28.86 26.34 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.878 1.718 . . . . 0.0 114.222 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.52 -31.94 67.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.208 -0.933 . . . . 0.0 112.418 173.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.81 -47.1 70.02 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.555 -0.716 . . . . 0.0 111.104 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.77 73.1 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.154 -0.966 . . . . 0.0 112.197 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -51.93 -52.37 50.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.738 1.615 . . . . 0.0 112.069 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.9 ptp -75.49 -32.41 60.56 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.658 -0.651 . . . . 0.0 112.239 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.2 mmm -66.9 -39.92 87.58 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.803 -0.561 . . . . 0.0 111.71 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.68 0 O-C-N 121.583 -0.698 . . . . 0.0 111.903 169.567 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 tm-20 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.8 -45.26 93.47 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.196 0.998 . . . . 0.0 111.597 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.99 -46.53 84.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.808 1.243 . . . . 0.0 111.548 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.52 -47.63 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.439 1.496 . . . . 0.0 110.479 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -68.12 -35.19 77.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -65.76 -47.38 75.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.484 1.114 . . . . 0.0 111.652 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.21 -26.11 67.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.797 1.239 . . . . 0.0 113.965 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.34 -41.0 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.928 -1.108 . . . . 0.0 112.436 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -61.2 -26.35 67.66 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 m -72.29 -15.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -98.49 -25.24 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.899 1.28 . . . . 0.0 113.071 171.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 175.007 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.363 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -146.15 162.76 37.27 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.501 1.52 . . . . 0.0 109.777 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.6 mt -120.75 150.69 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 125.736 1.614 . . . . 0.0 108.953 174.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.9 m -75.31 139.56 42.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.42 -1.425 . . . . 0.0 111.232 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.39 -42.08 81.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.163 -0.961 . . . . 0.0 112.85 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.0 -29.69 70.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -74.69 -43.11 56.81 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.39 -0.819 . . . . 0.0 111.852 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.452 ' HA ' HG22 ' A' ' 108' ' ' VAL . 10.7 tp -69.55 -37.22 76.96 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.149 0.886 . . . . 0.0 111.415 173.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -62.84 -35.3 79.49 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.139 0.881 . . . . 0.0 111.805 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -62.39 -65.28 0.71 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.608 169.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.5 m -56.25 -40.35 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 121.079 1.763 . . . . 0.0 112.733 -174.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 32.9 mmt -75.87 -14.35 60.28 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.3 p -117.44 -4.31 11.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.486 1.114 . . . . 0.0 113.473 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -101.82 -28.73 12.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.0 1.72 . . . . 0.0 113.352 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.95 142.54 47.74 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.128 1.371 . . . . 0.0 110.753 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.19 -147.15 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 114.896 0.719 . . . . 0.0 114.896 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.65 44.1 0.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.704 1.602 . . . . 0.0 113.598 -175.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -3.51 108.17 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 131.211 3.804 . . . . 0.0 114.948 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.57 143.25 56.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.32 161.21 22.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.573 1.149 . . . . 0.0 110.867 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -48.72 -46.98 41.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.83 1.652 . . . . 0.0 114.657 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -84.6 -23.79 29.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.07 0.948 . . . . 0.0 113.106 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -72.76 -41.45 65.06 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.25 1.42 . . . . 0.0 111.71 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.02 -35.75 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.493 0.717 . . . . 0.0 111.088 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -64.93 -39.73 93.97 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.705 -0.622 . . . . 0.0 111.441 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -59.12 -37.4 77.14 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 0.0 111.429 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 ttm -67.39 -40.97 85.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.958 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.35 -44.54 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.011 1.278 . . . . 0.0 110.34 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -57.31 -38.93 74.77 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.949 1.299 . . . . 0.0 112.68 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -47.12 49.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.894 1.277 . . . . 0.0 112.898 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.14 -28.17 22.64 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -168.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.4 t0 . . . . . 0 N--CA 1.478 0.958 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 179.637 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.312 0 N-CA-C 113.538 0.175 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.17 86.33 2.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.252 1.821 . . . . 0.0 108.693 -171.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.95 104.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.642 1.177 . . . . 0.0 110.817 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -84.72 82.7 8.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 122.145 0.974 . . . . 0.0 111.311 -169.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.61 ' O ' HG23 ' A' ' 142' ' ' VAL . 6.0 p90 -61.3 -29.63 69.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.77 -170.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.28 -39.53 90.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.776 1.626 . . . . 0.0 112.555 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -81.18 -33.47 33.0 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.474 0.71 . . . . 0.0 112.088 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -61.7 -40.63 95.69 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.403 -0.811 . . . . 0.0 112.38 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 138' ' ' TYR . 94.6 t -51.12 -60.4 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.54 1.136 . . . . 0.0 109.174 174.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.08 -23.67 60.57 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.622 -167.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.3 ttp -70.52 -46.58 63.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.518 1.127 . . . . 0.0 111.31 168.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.9 ttp -65.86 -33.61 76.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.641 1.176 . . . . 0.0 112.139 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 125.936 1.694 . . . . 0.0 115.126 176.482 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -51.03 -46.06 61.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.048 1.739 . . . . 0.0 113.059 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.89 -26.47 64.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -96.77 -29.85 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.369 1.068 . . . . 0.0 111.8 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 36.7 m -58.82 -40.77 85.12 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.701 1.201 . . . . 0.0 110.848 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.88 83.77 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.726 -0.609 . . . . 0.0 110.328 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.77 -43.55 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.624 -0.672 . . . . 0.0 111.441 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 11.8 mt -57.54 -43.56 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.788 0.835 . . . . 0.0 111.668 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.8 mt -68.99 -35.69 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.662 0.785 . . . . 0.0 110.468 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.39 -41.81 98.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.993 -1.067 . . . . 0.0 112.441 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -58.32 -49.06 78.53 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.198 0.999 . . . . 0.0 110.302 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.13 85.34 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.616 1.166 . . . . 0.0 113.059 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.4 t80 -69.84 -44.76 69.25 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.439 -0.788 . . . . 0.0 113.089 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -62.9 -26.82 68.98 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.143 -0.973 . . . . 0.0 112.246 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -47.46 86.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.379 1.072 . . . . 0.0 110.88 169.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -68.79 -34.83 76.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.235 1.014 . . . . 0.0 113.038 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.541 0.6 0 O-C-N 121.391 -0.818 . . . . 0.0 112.471 173.574 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.0 -45.19 64.41 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.168 0.987 . . . . 0.0 111.948 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -60.89 -45.46 94.49 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.47 -45.64 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.54 74.19 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.973 1.26 . . . . 0.0 113.17 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.68 -44.97 84.61 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.085 -1.01 . . . . 0.0 111.658 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -66.51 -36.45 82.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.733 0.813 . . . . 0.0 112.272 172.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.88 -49.43 75.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.257 1.423 . . . . 0.0 110.327 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.1 -54.46 41.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.466 0.706 . . . . 0.0 111.748 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.05 74.82 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -72.91 -49.78 27.61 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.919 . . . . 0.0 111.419 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -61.54 -25.93 67.62 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.416 1.086 . . . . 0.0 112.725 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.35 -22.86 21.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.404 1.482 . . . . 0.0 114.002 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' HG22 ' A' ' 35' ' ' VAL . 40.5 m-85 -118.29 0.74 11.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.106 1.762 . . . . 0.0 112.662 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.7 t0 . . . . . 0 CA--C 1.548 0.884 0 O-C-N 120.721 -1.237 . . . . 0.0 110.271 172.127 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.5 p30 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 30.68 28.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.19 1.376 . . . . 0.0 114.386 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -138.35 160.85 38.45 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.823 1.312 . . . . 0.0 114.258 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 pt -137.83 171.33 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.229 2.212 . . . . 0.0 110.639 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.8 p -82.51 159.3 22.87 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.365 1.078 . . . . 0.0 112.855 169.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.432 ' HB ' HD13 ' A' ' 52' ' ' ILE . 24.3 p -59.59 -29.48 67.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.543 1.137 . . . . 0.0 112.551 169.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -67.18 -40.67 86.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.681 1.192 . . . . 0.0 112.739 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -77.23 -15.19 59.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.759 1.224 . . . . 0.0 114.279 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -57.87 5.52 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.621 1.168 . . . . 0.0 111.583 -177.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.39 -22.08 74.58 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.507 -0.746 . . . . 0.0 113.965 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -73.6 -42.13 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.798 1.239 . . . . 0.0 111.135 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG22 ' CD2' ' A' ' 19' ' ' PHE . 53.5 t -64.93 -38.36 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.82 1.248 . . . . 0.0 110.929 173.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.5 mtp -63.34 -44.01 96.09 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.071 -1.018 . . . . 0.0 112.287 170.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -65.93 -27.15 67.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -62.16 -31.28 71.76 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.817 0.735 . . . . 0.0 112.265 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -88.03 4.72 44.1 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.186 1.794 . . . . 0.0 113.84 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.24 -6.81 62.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.518 1.533 . . . . 0.0 116.022 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.45 131.87 35.21 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.206 1.503 . . . . 0.0 109.876 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -123.7 68.77 43.41 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.795 -166.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -66.66 155.04 72.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.02 3.147 . . . . 0.0 112.993 -173.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.6 m -75.44 154.0 37.31 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.699 1.2 . . . . 0.0 111.761 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.47 -43.34 97.04 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.294 -1.504 . . . . 0.0 113.235 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.19 75.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.485 -0.759 . . . . 0.0 112.623 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.95 -42.59 84.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 111.625 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.36 -47.39 85.59 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.867 0.867 . . . . 0.0 111.177 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.51 -40.22 96.04 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.469 0.577 . . . . 0.0 112.004 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.69 -38.22 90.31 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.102 0.865 . . . . 0.0 112.521 176.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.7 mtm -67.37 -40.54 85.74 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.365 -0.835 . . . . 0.0 112.335 170.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.432 HD13 ' HB ' ' A' ' 29' ' ' THR . 58.1 mt -67.05 -31.46 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.476 1.035 . . . . 0.0 111.612 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.8 -30.2 69.91 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.768 1.167 . . . . 0.0 112.383 173.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -84.04 -48.65 9.69 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.989 1.315 . . . . 0.0 112.495 172.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.2 t -73.49 -41.43 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.768 1.627 . . . . 0.0 113.11 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -108.57 47.81 0.89 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.016 1.727 . . . . 0.0 112.248 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.01 63.48 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.15 0.4 57.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 114.167 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.11 40.86 71.67 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 120.875 -1.14 . . . . 0.0 115.426 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -76.37 -23.36 54.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.224 1.41 . . . . 0.0 113.296 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.77 15.54 77.99 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.681 1.61 . . . . 0.0 114.346 -169.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -138.39 160.6 39.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 113.538 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.98 137.14 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.173 2.189 . . . . 0.0 108.748 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.58 155.6 18.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.566 0.746 . . . . 0.0 111.378 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -44.54 -52.43 17.64 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.02 -29.95 26.54 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 121.986 1.791 . . . . 0.0 113.822 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.2 -31.26 65.72 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.318 -0.863 . . . . 0.0 111.672 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -66.74 -46.77 74.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.614 0.766 . . . . 0.0 111.247 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.92 -35.19 76.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.398 0.999 . . . . 0.0 112.275 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -40.25 63.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.032 1.333 . . . . 0.0 112.56 171.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 ptp -83.92 -33.38 24.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.31 0.959 . . . . 0.0 113.339 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.4 -32.97 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.619 -0.676 . . . . 0.0 112.784 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.796 0 CA-C-N 118.785 0.721 . . . . 0.0 112.211 171.739 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.4 -44.2 65.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.979 0.912 . . . . 0.0 111.465 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.24 -44.54 75.45 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.377 0.671 . . . . 0.0 112.156 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.71 -44.5 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 123.944 0.898 . . . . 0.0 110.524 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -58.83 -45.95 88.83 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.289 0.95 . . . . 0.0 112.191 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -69.89 -39.13 76.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.137 0.88 . . . . 0.0 112.717 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.51 65.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.719 1.207 . . . . 0.0 113.434 173.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -79.52 -42.18 25.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.046 -1.034 . . . . 0.0 110.826 167.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -60.38 -26.38 66.59 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.261 1.024 . . . . 0.0 113.761 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.6 m -68.8 -25.98 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.9 m-85 -90.33 -26.24 20.06 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.458 1.103 . . . . 0.0 112.718 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.6 t0 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 110.528 174.45 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.347 0 N-CA-C 114.283 0.473 . . . . 0.0 114.283 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -147.07 165.47 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.82 1.248 . . . . 0.0 111.136 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.0 mt -125.39 153.14 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.259 1.823 . . . . 0.0 109.114 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.77 142.83 40.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.076 -1.64 . . . . 0.0 110.654 172.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.88 74.7 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.037 -1.039 . . . . 0.0 112.958 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.18 -27.17 68.51 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.89 -44.12 56.31 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.975 0.91 . . . . 0.0 111.576 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.83 -39.06 80.21 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.596 0.634 . . . . 0.0 111.107 173.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -61.3 -38.84 88.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.304 0.642 . . . . 0.0 111.872 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.24 -64.66 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.412 0.551 . . . . 0.0 110.509 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 11.8 p -62.38 -38.2 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.908 0.776 . . . . 0.0 112.345 -171.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.1 mmt -69.34 -15.51 63.34 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -115.97 0.17 12.97 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.016 1.326 . . . . 0.0 113.693 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -112.72 -31.88 6.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.074 1.749 . . . . 0.0 113.182 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.696 HD12 HG23 ' A' ' 108' ' ' VAL . 29.8 mt -132.64 148.44 52.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.272 1.429 . . . . 0.0 111.036 -171.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.29 -140.23 30.56 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.976 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.42 -7.66 53.67 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt 50.55 93.47 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.067 2.547 . . . . 0.0 113.908 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.38 151.28 28.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.34 1.056 . . . . 0.0 112.061 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 159.86 24.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.802 0.841 . . . . 0.0 110.601 170.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.01 -39.22 81.2 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -77.63 -33.98 53.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.361 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.52 -40.41 89.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.836 1.654 . . . . 0.0 112.092 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.53 -31.92 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 111.971 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -37.23 84.56 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.633 -1.292 . . . . 0.0 111.402 174.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.46 -33.87 70.22 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.704 0.802 . . . . 0.0 111.548 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.7 ttm -66.75 -51.18 58.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.743 0.817 . . . . 0.0 110.945 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.02 -43.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.986 0.812 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -65.18 -20.61 66.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.435 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -110.55 -24.75 10.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.33 32.78 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.181 0.993 . . . . 0.0 113.386 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.14 -0.975 . . . . 0.0 110.951 174.321 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 CA-C-O 119.777 -0.457 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.53 91.33 3.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.095 1.358 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.2 104.02 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.791 1.237 . . . . 0.0 110.874 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -83.16 96.43 8.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.406 1.098 . . . . 0.0 110.981 -177.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.57 -26.13 65.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.96 -174.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -68.96 -31.4 70.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.192 1.36 . . . . 0.0 112.731 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.91 -43.99 42.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.462 -0.774 . . . . 0.0 110.44 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -64.29 -43.83 93.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.746 1.218 . . . . 0.0 113.985 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.01 -50.76 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.609 1.164 . . . . 0.0 111.145 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.9 -26.07 63.06 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.3 ttp -69.27 -46.96 65.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.668 0.667 . . . . 0.0 111.412 168.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -64.91 -43.59 92.33 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.392 0.542 . . . . 0.0 112.441 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -172.633 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -51.63 -42.58 62.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.797 1.639 . . . . 0.0 112.308 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 56.2 tt0 -69.6 -24.61 63.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.8 m -104.43 -28.25 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.671 1.189 . . . . 0.0 112.588 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.9 m -59.09 -38.21 78.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.145 0.978 . . . . 0.0 110.993 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.74 -40.4 75.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 110.816 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.17 -39.77 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.859 -1.15 . . . . 0.0 111.814 -175.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.3 mt -58.94 -41.46 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.212 1.005 . . . . 0.0 111.368 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.1 mt -71.38 -38.8 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.881 0.872 . . . . 0.0 110.815 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.81 -41.16 86.12 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.196 0.907 . . . . 0.0 111.814 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -58.58 -53.93 52.83 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.843 0.747 . . . . 0.0 111.274 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.74 83.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.116 0.966 . . . . 0.0 112.901 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.98 -53.69 29.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.71 -30.34 70.69 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.804 -0.56 . . . . 0.0 111.679 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -51.29 70.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.984 0.914 . . . . 0.0 111.062 169.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.87 -35.19 79.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.027 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.32 -43.93 69.29 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.119 0.968 . . . . 0.0 112.218 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -61.24 -44.18 97.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.663 0.665 . . . . 0.0 111.219 172.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.17 -42.41 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.249 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.05 78.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.009 1.277 . . . . 0.0 112.756 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.5 -44.8 81.58 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.853 -1.155 . . . . 0.0 111.786 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -65.56 -35.1 79.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.563 0.745 . . . . 0.0 112.187 172.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.37 -50.69 73.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.607 1.563 . . . . 0.0 111.339 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.61 -49.75 72.07 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.603 0.761 . . . . 0.0 111.99 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.34 72.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -75.51 -51.52 12.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.259 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -63.33 -17.52 62.65 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.4 tp -55.04 -22.91 17.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.607 1.563 . . . . 0.0 114.268 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD1' HG12 ' A' ' 35' ' ' VAL . 32.6 m-85 -126.0 6.59 7.26 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.44 1.496 . . . . 0.0 113.26 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 124.83 1.252 . . . . 0.0 110.29 173.427 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 25.49 54.23 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 120.931 -1.106 . . . . 0.0 113.765 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 p -141.12 159.04 43.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.033 1.333 . . . . 0.0 112.502 -174.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.81 165.94 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.1 1.76 . . . . 0.0 110.001 172.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -79.88 159.17 26.5 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.195 0.998 . . . . 0.0 112.312 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.3 p -62.85 -17.14 61.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.104 0.962 . . . . 0.0 112.652 169.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.0 -42.33 24.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.608 1.163 . . . . 0.0 112.465 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -72.59 -18.63 61.59 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.14 -59.58 2.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.808 1.243 . . . . 0.0 112.201 -175.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.8 -21.68 73.28 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.733 -0.604 . . . . 0.0 113.967 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 m -71.17 -40.2 71.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.466 -1.02 . . . . 0.0 110.664 170.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.592 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.304 1.3 m -72.36 -35.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.941 0.791 . . . . 0.0 112.283 173.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.7 mtp -59.01 -34.13 71.52 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.309 1.413 . . . . 0.0 112.859 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -68.18 -24.95 65.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -67.19 -33.4 75.31 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.329 0.968 . . . . 0.0 111.23 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.78 12.9 2.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.782 1.233 . . . . 0.0 113.965 168.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.83 74.23 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 117.177 1.631 . . . . 0.0 117.177 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -138.05 135.28 35.71 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.749 1.775 . . . . 0.0 113.186 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 9.9 t30 -90.04 106.37 14.33 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.301 0.641 . . . . 0.0 111.471 169.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 42' ' ' ASN . 95.4 Cg_endo -68.57 145.94 65.86 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.01 2.473 . . . . 0.0 111.427 168.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -68.42 150.25 48.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.162 0.985 . . . . 0.0 110.32 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -61.08 -30.5 70.38 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.355 -1.465 . . . . 0.0 113.132 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.14 -36.49 81.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.034 0.934 . . . . 0.0 112.92 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.78 -47.49 71.99 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.55 -0.719 . . . . 0.0 110.445 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -57.9 -45.74 86.01 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.091 0.556 . . . . 0.0 111.458 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.55 -43.13 93.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.348 0.659 . . . . 0.0 112.098 176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -66.58 -42.81 86.41 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.519 -0.738 . . . . 0.0 112.566 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 111.923 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.68 -29.34 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.321 -0.862 . . . . 0.0 111.442 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -65.18 -28.33 69.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.427 1.467 . . . . 0.0 113.017 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -74.93 -48.82 22.6 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.429 1.013 . . . . 0.0 111.774 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.42 -46.23 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 113.476 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -107.11 55.38 0.65 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.899 1.679 . . . . 0.0 112.593 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.81 -23.03 64.76 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.246 -0.909 . . . . 0.0 113.337 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -81.83 -15.1 55.2 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.99 1.316 . . . . 0.0 114.094 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.83 27.89 73.52 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.295 0.95 . . . . 0.0 114.352 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -18.55 57.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.26 1.424 . . . . 0.0 114.462 -174.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.53 10.62 85.05 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.438 1.494 . . . . 0.0 116.259 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 p -132.16 160.81 34.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.529 1.664 . . . . 0.0 114.455 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -132.54 134.77 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 128.113 2.565 . . . . 0.0 108.577 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.67 157.23 19.14 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.896 0.771 . . . . 0.0 111.555 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -45.43 -55.83 11.03 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.14 -22.51 30.26 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.801 1.667 . . . . 0.0 113.604 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.26 -26.11 52.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.53 -0.731 . . . . 0.0 112.32 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.93 -39.06 76.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.228 0.922 . . . . 0.0 111.968 169.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.88 -21.28 64.58 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 t -59.85 -35.11 74.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ptp -88.24 -31.32 19.1 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.918 -0.489 . . . . 0.0 111.645 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.89 -32.26 73.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.897 0.771 . . . . 0.0 112.595 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 123.353 0.661 . . . . 0.0 112.17 169.3 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.18 -37.57 81.09 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.542 -0.724 . . . . 0.0 112.256 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.39 90.44 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.67 -0.644 . . . . 0.0 111.548 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.05 -47.58 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.61 0.764 . . . . 0.0 110.542 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -57.27 -46.12 83.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.33 0.968 . . . . 0.0 111.913 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -65.47 -42.3 92.41 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.035 0.834 . . . . 0.0 112.657 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.52 -22.75 64.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 113.714 175.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.34 -41.23 34.18 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.91 -1.119 . . . . 0.0 111.01 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.01 -26.4 68.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.91 -21.2 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.07 -27.07 15.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.078 1.351 . . . . 0.0 113.097 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.8 t0 . . . . . 0 N--CA 1.473 0.694 0 C-N-CA 124.034 0.934 . . . . 0.0 109.804 172.408 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 CA-C-O 120.019 -0.323 . . . . 0.0 113.705 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.65 162.5 41.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.426 1.091 . . . . 0.0 112.315 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.54 139.85 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.308 1.843 . . . . 0.0 109.421 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -68.25 143.65 55.19 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.524 -1.36 . . . . 0.0 112.309 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.07 85.62 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.36 -0.837 . . . . 0.0 112.79 -176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.78 72.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.526 0.73 . . . . 0.0 112.829 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -74.09 -44.62 53.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.635 0.774 . . . . 0.0 111.809 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 108' ' ' VAL . 9.8 tp -68.88 -36.13 77.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.781 0.719 . . . . 0.0 111.149 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -63.08 -36.5 83.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.755 1.162 . . . . 0.0 112.032 169.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.4 -64.08 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.917 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.4 m -57.52 -40.42 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.863 1.665 . . . . 0.0 112.722 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.0 mmt -75.91 -10.23 59.26 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -122.32 -4.6 8.88 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -99.95 -26.15 14.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.847 1.659 . . . . 0.0 113.507 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.9 mt -134.48 152.6 51.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.099 1.36 . . . . 0.0 111.14 -168.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.26 -142.59 36.06 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 114.53 0.572 . . . . 0.0 114.53 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -81.04 8.41 8.59 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 42.64 104.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 129.638 3.175 . . . . 0.0 114.891 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.9 144.35 57.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.644 0.777 . . . . 0.0 110.808 170.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.7 159.29 30.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.097 0.559 . . . . 0.0 109.963 171.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.74 -31.71 64.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -83.99 -26.83 28.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.817 0.847 . . . . 0.0 112.952 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -77.82 -40.5 40.24 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.922 1.689 . . . . 0.0 111.537 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.19 -32.52 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.88 0.872 . . . . 0.0 110.992 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.31 -38.4 81.56 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 111.719 170.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.24 -38.25 76.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.652 0.66 . . . . 0.0 110.852 169.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.17 -56.01 22.99 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.198 170.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.57 -40.02 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 121.012 1.733 . . . . 0.0 111.225 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -52.8 -35.02 56.21 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.904 1.681 . . . . 0.0 113.758 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -109.88 -15.92 13.98 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -90.82 -33.58 15.63 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.343 1.857 . . . . 0.0 113.02 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 126.056 1.743 . . . . 0.0 111.388 172.218 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 N-CA-C 113.701 0.24 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -126.82 89.68 3.03 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.935 1.694 . . . . 0.0 109.372 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.706 HG13 ' HB1' ' A' ' 128' ' ' ALA . 28.7 t -66.43 124.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.242 0.617 . . . . 0.0 110.421 177.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.55 94.41 8.18 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.992 0.901 . . . . 0.0 110.863 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.29 -28.57 68.8 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.798 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.52 -27.51 67.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.508 1.049 . . . . 0.0 112.779 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -88.8 -39.6 13.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.686 1.194 . . . . 0.0 111.671 168.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.72 -43.43 90.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.35 1.06 . . . . 0.0 112.569 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.6 p -56.51 -39.19 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.43 1.092 . . . . 0.0 112.472 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.87 -49.34 59.09 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.237 0.615 . . . . 0.0 110.654 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.92 -43.27 86.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.286 0.634 . . . . 0.0 112.308 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.0 ttp -67.91 -32.0 72.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.621 1.568 . . . . 0.0 112.961 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.6 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.26 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.0 tp60 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.79 -47.86 73.44 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.15 1.38 . . . . 0.0 111.809 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.38 -28.76 68.2 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.7 m -95.81 -30.07 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.229 1.012 . . . . 0.0 112.024 -173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 60.6 m -59.89 -40.69 89.57 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.351 1.06 . . . . 0.0 110.673 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.95 77.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.725 -0.609 . . . . 0.0 110.858 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.83 -37.66 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 120.995 -1.066 . . . . 0.0 112.197 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.23 -45.18 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.297 1.039 . . . . 0.0 110.758 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.46 -41.0 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.443 1.097 . . . . 0.0 111.072 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.94 -48.69 77.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.608 1.163 . . . . 0.0 111.68 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.23 -45.73 79.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.525 1.13 . . . . 0.0 111.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.17 82.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 45.4 t80 -67.42 -49.78 62.29 Favored 'General case' 0 C--O 1.23 0.071 0 O-C-N 121.41 -0.806 . . . . 0.0 111.926 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -65.82 -26.79 67.83 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.545 -0.722 . . . . 0.0 112.429 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -63.08 -43.05 99.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.982 0.913 . . . . 0.0 110.927 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.55 -39.51 91.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.335 0.654 . . . . 0.0 112.478 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.543 0.71 0 O-C-N 121.103 -0.998 . . . . 0.0 112.193 173.069 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -68.07 -42.46 80.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.162 0.985 . . . . 0.0 112.202 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.67 -41.96 95.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.661 0.784 . . . . 0.0 110.83 173.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.39 -44.68 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.222 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.55 74.69 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.42 1.009 . . . . 0.0 112.875 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.55 -44.79 81.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.793 -1.192 . . . . 0.0 111.709 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -68.74 -33.91 74.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.702 0.801 . . . . 0.0 112.218 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.91 -52.71 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.221 1.808 . . . . 0.0 111.048 173.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.01 -50.44 68.51 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.058 0.543 . . . . 0.0 111.761 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.93 74.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -73.28 -48.11 37.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.843 0.857 . . . . 0.0 111.637 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -59.98 -27.05 66.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.287 1.035 . . . . 0.0 112.405 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.91 -21.96 33.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.298 1.439 . . . . 0.0 114.146 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HG22 ' A' ' 35' ' ' VAL . 60.0 m-85 -120.15 4.04 10.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.864 1.666 . . . . 0.0 113.092 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 125.645 1.578 . . . . 0.0 110.823 172.727 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 24.53 61.62 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.806 1.193 . . . . 0.0 114.321 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -141.99 158.88 43.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.7 1.2 . . . . 0.0 113.127 -174.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -133.42 168.8 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.28 1.832 . . . . 0.0 110.817 174.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -80.94 158.57 25.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.121 0.963 . . . . 0.0 111.887 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 p -59.7 -30.47 68.82 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.584 0.754 . . . . 0.0 112.437 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.01 -40.03 68.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.786 0.834 . . . . 0.0 112.519 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.63 -15.16 61.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.01 -47.33 71.62 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.908 1.231 . . . . 0.0 112.149 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.4 76.76 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 118.826 0.739 . . . . 0.0 113.48 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -66.1 -41.08 91.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.848 1.324 . . . . 0.0 111.313 172.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 19' ' ' PHE . 55.7 t -64.68 -41.47 92.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.347 1.059 . . . . 0.0 110.977 174.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.7 mtp -62.09 -42.12 98.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.994 -1.066 . . . . 0.0 112.265 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -67.48 -31.0 70.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.049 0.94 . . . . 0.0 112.701 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.5 t -62.8 -33.06 74.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.516 0.726 . . . . 0.0 111.974 169.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.4 mt -82.47 5.87 19.21 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.051 1.74 . . . . 0.0 114.145 170.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.23 -4.43 67.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.482 1.515 . . . . 0.0 115.788 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.29 115.86 23.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.922 1.361 . . . . 0.0 108.923 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -103.65 86.51 1.19 Allowed Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 121.491 -0.756 . . . . 0.0 110.971 176.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.1 153.39 57.27 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.761 2.307 . . . . 0.0 111.057 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -83.99 161.21 20.83 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.196 -0.94 . . . . 0.0 111.637 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.88 -36.35 83.03 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.828 -1.795 . . . . 0.0 113.187 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.59 63.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -87.3 -36.48 17.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.225 1.81 . . . . 0.0 111.551 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.3 mt -58.59 -45.39 89.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.969 0.908 . . . . 0.0 110.905 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -61.32 -36.46 80.19 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.09 -28.05 68.53 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.1 mtm -85.03 -42.57 14.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 112.419 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.27 -28.46 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -59.71 -19.69 51.55 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 121.02 1.736 . . . . 0.0 113.775 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.5 -28.62 59.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.397 1.479 . . . . 0.0 113.513 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 m -105.37 -37.53 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.832 1.653 . . . . 0.0 113.815 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -89.37 30.91 0.94 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.233 1.813 . . . . 0.0 112.243 173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.02 67.96 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.995 -1.066 . . . . 0.0 113.239 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -84.97 -7.85 58.98 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.213 1.405 . . . . 0.0 113.698 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.7 11.5 73.19 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.325 1.441 . . . . 0.0 116.007 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -76.97 -7.12 55.03 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.896 1.848 . . . . 0.0 114.961 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.71 13.33 80.52 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 120.879 -1.138 . . . . 0.0 115.635 171.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -136.69 158.74 43.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.092 1.357 . . . . 0.0 113.195 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.4 mt -139.45 138.45 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 0.0 108.963 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.7 159.58 17.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.734 0.814 . . . . 0.0 112.074 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -46.38 -56.98 9.46 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.93 -21.11 21.4 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.857 1.705 . . . . 0.0 113.074 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.44 -42.62 71.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.53 0.605 . . . . 0.0 111.017 173.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.59 -40.06 86.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.337 -0.852 . . . . 0.0 112.442 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -64.26 -19.17 65.21 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -37.45 84.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.909 0.777 . . . . 0.0 112.492 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -84.18 -33.46 24.19 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.763 -0.586 . . . . 0.0 112.144 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.5 mmm -63.54 -38.45 91.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.485 0.584 . . . . 0.0 111.624 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 173.412 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.84 -33.81 76.42 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.638 -0.664 . . . . 0.0 112.19 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -68.99 -44.82 72.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.815 -0.553 . . . . 0.0 111.569 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.6 -46.22 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.883 0.873 . . . . 0.0 110.02 174.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -48.93 79.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 111.003 178.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.52 -44.81 93.19 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.558 -0.713 . . . . 0.0 112.472 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.73 80.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.701 1.2 . . . . 0.0 112.892 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.66 -43.53 75.99 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.282 -0.887 . . . . 0.0 112.014 172.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -63.14 -23.17 67.31 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.438 -0.789 . . . . 0.0 112.951 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -62.73 -38.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.952 1.301 . . . . 0.0 111.345 167.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.07 -17.98 33.64 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.264 1.426 . . . . 0.0 114.521 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 CA--C 1.547 0.855 0 O-C-N 121.35 -0.843 . . . . 0.0 109.244 169.485 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.488 0 CA-C-O 119.803 -0.443 . . . . 0.0 113.144 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.86 161.64 40.56 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.388 1.094 . . . . 0.0 112.784 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -128.34 139.43 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.747 1.619 . . . . 0.0 109.461 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -66.32 141.76 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.496 -1.377 . . . . 0.0 111.8 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.1 93.2 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.099 -1.001 . . . . 0.0 112.665 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.04 73.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.395 0.678 . . . . 0.0 112.691 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -73.91 -45.49 50.32 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.64 0.776 . . . . 0.0 111.902 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.465 HD22 HG11 ' A' ' 136' ' ' VAL . 11.0 tp -67.97 -34.14 75.99 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.16 0.891 . . . . 0.0 111.268 174.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 -61.91 -45.13 95.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.677 1.126 . . . . 0.0 110.761 168.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -57.55 -57.88 10.75 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.941 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.0 m -58.29 -40.91 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 120.586 1.539 . . . . 0.0 111.715 -178.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.6 mmt -75.59 -14.83 60.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 p -116.11 4.83 13.7 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -105.72 -23.7 12.68 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.734 1.214 . . . . 0.0 113.055 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.89 164.14 27.94 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.972 1.309 . . . . 0.0 111.397 -167.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.39 50.72 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 121.914 0.73 . . . . 0.0 113.508 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -69.15 -12.15 61.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.846 1.658 . . . . 0.0 114.443 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.34 135.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.948 2.499 . . . . 0.0 113.102 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 mt -92.42 151.78 20.06 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.217 1.007 . . . . 0.0 110.033 167.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -67.91 160.59 28.21 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.206 1.002 . . . . 0.0 110.685 170.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -56.09 -44.9 79.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.572 1.149 . . . . 0.0 113.934 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.3 -33.05 64.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.269 -0.894 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.457 1.503 . . . . 0.0 112.297 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.94 -31.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.927 0.891 . . . . 0.0 112.027 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.03 -36.08 77.36 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.941 -1.1 . . . . 0.0 111.762 170.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.08 -29.55 68.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.943 0.897 . . . . 0.0 112.087 171.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.1 ttm -66.46 -55.77 14.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.71 0.686 . . . . 0.0 110.047 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.49 -36.01 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.945 0.793 . . . . 0.0 111.784 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -53.51 -41.51 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.86 1.264 . . . . 0.0 113.419 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -42.1 11.28 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 111.72 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -64.86 -33.65 76.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.432 1.893 . . . . 0.0 112.447 -170.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 124.589 1.155 . . . . 0.0 110.303 168.774 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 113.915 0.326 . . . . 0.0 113.915 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -129.57 101.78 6.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.393 1.477 . . . . 0.0 110.86 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 105' ' ' LEU . 13.7 t -69.36 130.49 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.516 0.674 . . . . 0.0 110.663 173.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.96 80.84 2.53 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.264 1.03 . . . . 0.0 111.752 173.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -57.91 -28.92 64.67 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.448 -173.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.73 -33.13 74.5 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.294 1.037 . . . . 0.0 112.654 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.28 -38.24 27.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.377 0.671 . . . . 0.0 111.193 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.49 -39.54 92.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.889 0.876 . . . . 0.0 113.12 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.39 -45.88 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.836 0.744 . . . . 0.0 111.411 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -66.19 -37.15 84.91 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.618 0.767 . . . . 0.0 111.704 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.09 -46.53 70.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.675 0.79 . . . . 0.0 112.754 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.47 -38.22 90.26 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.129 0.877 . . . . 0.0 111.926 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 178.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.39 -50.06 72.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.877 0.871 . . . . 0.0 111.793 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -64.24 -24.8 67.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.611 1.164 . . . . 0.0 114.1 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.2 m -98.97 -33.0 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.431 1.092 . . . . 0.0 112.375 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -54.98 -41.99 71.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.651 1.181 . . . . 0.0 110.6 171.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.44 76.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.634 -0.666 . . . . 0.0 111.779 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.29 -37.01 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.255 0.934 . . . . 0.0 111.916 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -59.58 -41.67 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.772 1.229 . . . . 0.0 110.939 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.45 -37.88 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.399 1.08 . . . . 0.0 111.057 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.867 1.212 . . . . 0.0 111.665 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.09 -57.09 13.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.651 1.181 . . . . 0.0 110.965 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.95 72.54 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.841 0.856 . . . . 0.0 112.839 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -69.89 -51.45 33.06 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -66.62 -23.56 66.19 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.955 -1.09 . . . . 0.0 112.495 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.91 -48.2 75.0 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.486 1.114 . . . . 0.0 110.072 168.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.7 -30.82 71.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.226 1.41 . . . . 0.0 114.19 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.6 mt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 123.746 0.818 . . . . 0.0 113.047 173.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.89 -40.35 75.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.04 0.936 . . . . 0.0 112.575 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.11 -43.56 94.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.404 0.682 . . . . 0.0 110.644 172.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.46 -45.68 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.633 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.36 90.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.891 0.769 . . . . 0.0 112.666 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.25 -46.07 82.02 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.185 -0.947 . . . . 0.0 111.783 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.32 -33.91 77.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.463 0.705 . . . . 0.0 112.062 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -55.31 -53.33 57.51 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.09 1.756 . . . . 0.0 111.125 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -66.17 -49.61 66.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.677 0.791 . . . . 0.0 111.728 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.98 73.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -73.48 -48.39 33.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.89 0.768 . . . . 0.0 111.566 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.0 t -61.89 -28.76 69.74 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.269 1.028 . . . . 0.0 113.08 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.53 -19.77 6.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.572 1.549 . . . . 0.0 114.351 170.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CD1' HG22 ' A' ' 35' ' ' VAL . 38.7 m-85 -126.01 8.14 7.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.626 1.171 . . . . 0.0 113.462 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 124.382 1.073 . . . . 0.0 111.001 179.861 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.15 60.75 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.903 1.24 . . . . 0.0 113.48 -171.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -142.17 151.35 42.13 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.567 1.184 . . . . 0.0 113.48 -175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 pt -124.7 171.75 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 126.835 2.054 . . . . 0.0 110.89 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -86.08 159.72 19.48 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 122.329 1.061 . . . . 0.0 112.446 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -62.43 -21.57 65.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.532 1.133 . . . . 0.0 113.024 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.74 -43.55 46.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.352 1.061 . . . . 0.0 112.527 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.53 -13.18 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.85 -57.2 6.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.945 1.248 . . . . 0.0 111.728 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.68 -27.4 71.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.141 -0.974 . . . . 0.0 113.342 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.6 m -74.23 -35.18 63.85 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.15 0.98 . . . . 0.0 111.797 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 19' ' ' PHE . 52.2 t -63.76 -41.41 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.532 0.733 . . . . 0.0 110.305 169.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.6 mtp -63.51 -41.85 98.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.145 -0.972 . . . . 0.0 112.292 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -61.07 -37.39 82.49 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.28 1.032 . . . . 0.0 112.648 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.49 -32.88 73.86 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.955 0.902 . . . . 0.0 112.372 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.7 mt -80.56 6.84 11.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.502 1.521 . . . . 0.0 114.298 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.85 16.96 66.6 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 0.0 115.615 172.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -132.73 125.45 30.23 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.902 1.351 . . . . 0.0 111.462 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.12 92.87 5.86 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.428 1.091 . . . . 0.0 111.862 -175.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.87 152.26 68.7 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.611 2.874 . . . . 0.0 112.421 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -69.9 159.65 33.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.773 0.829 . . . . 0.0 112.042 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -60.2 -31.7 70.39 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.181 -0.949 . . . . 0.0 112.483 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 -44.86 73.56 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.987 0.915 . . . . 0.0 112.219 174.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.83 -45.06 95.45 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.776 0.83 . . . . 0.0 111.957 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.93 -46.03 91.12 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.743 -0.598 . . . . 0.0 111.442 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.8 -41.66 91.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.516 0.726 . . . . 0.0 111.897 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.17 -44.96 95.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.826 0.85 . . . . 0.0 112.63 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -67.84 -40.19 83.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.644 -0.66 . . . . 0.0 112.124 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.1 -29.04 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.8 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.78 -28.9 70.31 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.305 1.411 . . . . 0.0 112.902 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -83.34 -44.33 14.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.495 0.718 . . . . 0.0 112.635 171.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -73.41 -40.06 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.568 1.147 . . . . 0.0 113.908 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -118.73 46.83 1.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.773 1.629 . . . . 0.0 112.712 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.67 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -87.31 -4.82 59.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.63 40.72 58.53 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.031 -1.043 . . . . 0.0 115.277 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.36 -23.59 54.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.144 1.378 . . . . 0.0 113.091 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.43 16.74 77.43 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.791 1.662 . . . . 0.0 114.625 -172.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.1 p -137.83 159.05 43.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.263 1.425 . . . . 0.0 113.563 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -141.07 137.32 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.982 2.113 . . . . 0.0 108.727 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.13 157.55 18.26 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.831 0.741 . . . . 0.0 111.64 172.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.78 -55.72 13.9 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -21.96 30.49 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 121.936 1.757 . . . . 0.0 113.453 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -72.97 -40.53 65.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.815 0.734 . . . . 0.0 111.235 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.87 -39.99 91.28 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.494 -0.754 . . . . 0.0 112.182 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -63.26 -19.22 64.37 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.312 -0.867 . . . . 0.0 113.164 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -35.66 81.12 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.295 0.952 . . . . 0.0 112.8 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.73 -36.18 23.87 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.85 -0.531 . . . . 0.0 111.353 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.11 -24.86 66.76 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.181 0.901 . . . . 0.0 113.124 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 123.765 0.826 . . . . 0.0 112.818 169.88 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -65.16 -35.6 81.6 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.961 0.905 . . . . 0.0 112.009 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.85 -43.11 80.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.601 -0.687 . . . . 0.0 111.718 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.71 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 123.182 0.593 . . . . 0.0 110.107 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -59.25 -44.65 92.38 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.154 0.888 . . . . 0.0 112.484 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.53 -46.55 85.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.093 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.15 -21.34 65.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.582 1.553 . . . . 0.0 113.944 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.34 -42.38 20.63 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.253 -0.905 . . . . 0.0 112.541 169.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ttp-105 -62.12 -25.97 68.03 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.109 -0.994 . . . . 0.0 113.446 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.07 -19.46 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.9 m-85 -95.44 -22.42 17.71 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.401 1.08 . . . . 0.0 112.805 173.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 124.393 1.077 . . . . 0.0 110.413 173.648 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.277 0 N-CA-C 113.571 0.188 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.36 164.38 35.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.533 1.133 . . . . 0.0 111.974 -178.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -129.21 144.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.025 1.73 . . . . 0.0 108.942 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.7 t -65.42 144.42 57.07 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.211 -1.556 . . . . 0.0 111.338 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.29 69.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.47 79.67 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.271 0.628 . . . . 0.0 112.164 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -72.06 -43.73 64.43 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.457 0.703 . . . . 0.0 112.383 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.35 -40.2 77.65 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.936 0.789 . . . . 0.0 110.9 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -58.37 -45.79 87.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.051 0.841 . . . . 0.0 111.345 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -54.99 -59.21 5.06 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.234 0.614 . . . . 0.0 111.364 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.721 HG23 HD12 ' A' ' 112' ' ' LEU . 11.3 p -65.04 -34.87 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.998 0.817 . . . . 0.0 112.264 -175.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -71.45 -15.53 62.34 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -116.47 8.08 13.95 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 169.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -108.85 -44.68 3.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.967 1.307 . . . . 0.0 111.718 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.721 HD12 HG23 ' A' ' 108' ' ' VAL . 54.4 mt -121.13 146.82 46.35 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.091 1.357 . . . . 0.0 111.865 -168.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.88 -148.84 43.73 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.149 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -69.54 -6.36 30.34 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 54.63 108.52 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.266 2.626 . . . . 0.0 114.358 -173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.12 149.43 46.45 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.782 -0.574 . . . . 0.0 110.539 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.76 161.78 25.33 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.974 . . . . 0.0 110.852 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -56.02 -45.76 79.02 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.63 -1.294 . . . . 0.0 114.143 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.41 -31.99 64.18 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.147 -0.97 . . . . 0.0 112.268 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.0 -40.31 71.9 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.801 1.64 . . . . 0.0 112.264 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 p -75.04 -30.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.168 0.987 . . . . 0.0 111.662 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -70.71 -35.94 72.98 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.855 -1.153 . . . . 0.0 112.181 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.32 -30.69 68.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.953 0.901 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 ttm -67.47 -55.83 12.02 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.458 0.703 . . . . 0.0 109.819 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -57.08 -37.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.271 0.941 . . . . 0.0 111.562 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -50.34 -38.97 44.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.74 1.216 . . . . 0.0 113.807 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -110.09 -20.48 12.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.275 1.43 . . . . 0.0 114.141 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -77.15 -38.67 51.36 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.918 1.687 . . . . 0.0 112.333 173.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 111.32 171.693 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.392 0 N-CA-C 113.956 0.342 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -121.87 90.11 3.25 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.541 1.536 . . . . 0.0 109.199 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 128' ' ' ALA . 24.0 t -65.53 120.65 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 174.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -92.15 96.16 10.16 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.807 0.813 . . . . 0.0 110.502 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' O ' HG23 ' A' ' 142' ' ' VAL . 2.4 p90 -64.51 -32.44 74.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.751 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -60.13 -39.15 85.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.576 1.535 . . . . 0.0 112.732 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -76.52 -37.97 55.88 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.197 0.999 . . . . 0.0 112.111 169.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 5.1 t80 -64.53 -39.03 93.01 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 138' ' ' TYR . 5.3 t -56.44 -49.57 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.663 1.12 . . . . 0.0 108.592 170.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -63.92 -38.4 90.94 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.849 0.718 . . . . 0.0 110.983 -171.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.5 ttp -66.7 -45.71 77.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 112.846 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.0 mtm -64.42 -39.21 93.41 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.701 0.682 . . . . 0.0 112.617 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.476 0.869 0 C-N-CA 123.994 0.918 . . . . 0.0 113.021 -177.677 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.3 tp60 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 120.858 0.361 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.32 -42.76 70.52 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.923 1.289 . . . . 0.0 111.717 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 41.7 tt0 -65.89 -28.47 68.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 10.4 m -99.79 -31.33 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.453 1.101 . . . . 0.0 111.953 -173.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -56.04 -39.54 72.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.779 1.231 . . . . 0.0 111.098 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.17 72.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.663 0.785 . . . . 0.0 111.052 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 92.7 mt -65.53 -39.37 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 120.6 -1.313 . . . . 0.0 111.941 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.9 mt -57.46 -41.9 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.414 1.085 . . . . 0.0 110.678 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.3 -41.2 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 111.337 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -54.43 -47.21 73.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.506 1.048 . . . . 0.0 111.586 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -72.21 -42.9 65.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.018 0.927 . . . . 0.0 111.86 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.77 85.17 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 173.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.78 -50.93 67.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.076 0.55 . . . . 0.0 112.121 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 33.1 mtm-85 -67.02 -28.0 67.87 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.281 -0.887 . . . . 0.0 112.615 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.65 -40.71 97.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.866 0.757 . . . . 0.0 110.82 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.94 -36.06 82.32 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.049 0.84 . . . . 0.0 112.937 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 CA--C 1.543 0.674 0 O-C-N 120.703 -1.248 . . . . 0.0 112.021 171.524 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.88 -44.93 75.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.941 0.896 . . . . 0.0 112.065 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.13 -45.98 91.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.323 0.649 . . . . 0.0 111.24 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.39 -46.35 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.092 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.12 76.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.661 1.118 . . . . 0.0 112.835 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.97 -45.2 86.69 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 111.568 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.04 -37.7 88.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.825 0.85 . . . . 0.0 112.441 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.23 -50.43 72.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.762 1.625 . . . . 0.0 111.171 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -65.02 -51.9 59.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.32 0.648 . . . . 0.0 111.836 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.29 72.43 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -72.65 -50.62 23.87 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.982 0.913 . . . . 0.0 111.443 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 t -61.49 -24.6 66.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.045 0.938 . . . . 0.0 112.643 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -56.62 -21.83 29.78 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.398 1.479 . . . . 0.0 113.927 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD2' HG22 ' A' ' 35' ' ' VAL . 61.1 m-85 -121.62 4.52 10.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.824 1.65 . . . . 0.0 113.312 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.3 t0 . . . . . 0 CA--C 1.54 0.583 0 O-C-N 121.366 -0.834 . . . . 0.0 110.386 175.039 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.86 30.22 32.64 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.731 1.158 . . . . 0.0 113.855 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -140.55 156.43 46.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.865 1.266 . . . . 0.0 113.319 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.7 pt -131.33 170.96 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 126.938 2.095 . . . . 0.0 110.147 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -88.89 162.55 16.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.386 1.088 . . . . 0.0 113.385 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.2 p -59.57 -18.94 45.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.855 1.262 . . . . 0.0 112.846 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -43.21 57.99 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.355 1.062 . . . . 0.0 112.363 170.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.17 -17.25 57.06 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 48' ' ' LEU . 1.3 tt -46.25 -57.99 4.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.132 1.373 . . . . 0.0 111.912 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -29.11 74.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.511 -0.743 . . . . 0.0 113.245 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -69.34 -40.36 77.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.305 1.052 . . . . 0.0 111.551 173.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 19' ' ' PHE . 51.4 t -63.81 -41.71 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.604 1.161 . . . . 0.0 110.579 173.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.0 mtp -62.09 -42.99 99.77 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.932 . . . . 0.0 112.532 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -64.24 -33.66 76.32 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.521 -0.737 . . . . 0.0 112.408 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 t -64.14 -34.97 79.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 0.0 112.159 169.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 26.43 0.23 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.331 1.852 . . . . 0.0 114.27 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.88 70.54 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 169.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -138.2 127.0 23.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.708 1.203 . . . . 0.0 111.158 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.21 95.56 2.94 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.878 0.871 . . . . 0.0 110.818 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -64.41 150.2 88.68 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.533 2.822 . . . . 0.0 112.622 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -81.95 142.52 32.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.839 0.855 . . . . 0.0 109.967 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.32 -28.55 69.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.528 -1.357 . . . . 0.0 113.568 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -31.34 72.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.201 1.0 . . . . 0.0 113.083 172.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.81 -49.89 48.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.679 -0.638 . . . . 0.0 109.966 169.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 32' ' ' LEU . 30.1 mt -61.71 -39.06 90.18 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -61.32 -40.27 93.6 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.665 0.666 . . . . 0.0 111.64 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -69.2 -43.37 74.29 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.641 -0.662 . . . . 0.0 111.767 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.8 mtp -60.54 -39.85 89.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.544 1.138 . . . . 0.0 111.934 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.64 -32.45 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.939 0.896 . . . . 0.0 111.583 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -63.53 -30.56 71.66 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.923 1.692 . . . . 0.0 112.4 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.99 -51.65 15.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.909 0.777 . . . . 0.0 112.464 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.7 t -74.12 -45.42 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.644 1.177 . . . . 0.0 113.246 -171.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -102.33 56.08 0.79 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.935 1.694 . . . . 0.0 112.32 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -23.35 63.98 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -83.11 -14.6 53.33 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.964 1.306 . . . . 0.0 114.168 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.39 27.94 73.51 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.256 0.932 . . . . 0.0 114.171 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -18.28 55.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.531 1.533 . . . . 0.0 114.489 -173.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.58 5.67 89.27 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.391 1.472 . . . . 0.0 116.251 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -126.94 159.19 34.75 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.998 1.899 . . . . 0.0 114.821 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.81 134.4 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 128.026 2.53 . . . . 0.0 108.84 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.65 157.11 18.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.276 0.631 . . . . 0.0 111.394 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -45.44 -53.07 19.85 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.72 -27.13 27.04 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.811 1.674 . . . . 0.0 113.353 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.0 -29.18 61.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.173 -0.954 . . . . 0.0 111.899 174.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -69.43 -42.69 74.65 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.264 -0.898 . . . . 0.0 110.911 168.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.31 -26.45 68.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.87 -1.144 . . . . 0.0 112.284 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -35.81 70.16 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.115 1.366 . . . . 0.0 113.427 171.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.2 ptp -84.52 -40.39 17.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.043 1.292 . . . . 0.0 111.627 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.4 mmm -65.83 -39.77 91.16 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.331 0.514 . . . . 0.0 112.287 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 123.896 0.878 . . . . 0.0 112.958 174.399 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -69.61 -29.58 67.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.441 -0.787 . . . . 0.0 112.198 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.06 -36.86 61.77 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.553 0.741 . . . . 0.0 112.134 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.66 -47.9 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.19 0.996 . . . . 0.0 109.587 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -56.42 -48.37 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.422 0.689 . . . . 0.0 112.492 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.7 -40.96 84.3 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.21 86.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.01 1.324 . . . . 0.0 112.751 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.34 -43.61 94.05 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.134 -0.978 . . . . 0.0 111.468 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -63.13 -22.44 66.86 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.2 -31.86 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.988 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.654 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.8 m-85 -93.0 -16.58 24.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 175.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.548 1.139 . . . . 0.0 110.761 179.844 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.2 0 N-CA-C 113.023 -0.031 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.24 166.32 28.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.237 1.415 . . . . 0.0 111.259 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.17 136.23 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.889 1.675 . . . . 0.0 109.037 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 m -67.08 142.53 57.1 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.161 -1.587 . . . . 0.0 111.825 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.18 83.53 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.435 -0.791 . . . . 0.0 113.06 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.47 74.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 112.742 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -74.34 -43.5 56.37 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.647 0.779 . . . . 0.0 111.843 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.91 0.777 . . . . 0.0 110.756 174.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -59.86 -40.99 90.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.899 0.772 . . . . 0.0 112.038 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.02 -63.41 1.22 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.897 0.771 . . . . 0.0 110.476 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.674 HG23 HD12 ' A' ' 112' ' ' LEU . 14.8 p -64.51 -37.87 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.089 0.859 . . . . 0.0 112.785 -171.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.3 mmt -69.11 -14.86 63.24 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -118.21 1.22 11.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.07 -41.35 5.6 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.323 1.849 . . . . 0.0 112.099 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.674 HD12 HG23 ' A' ' 108' ' ' VAL . 31.6 mt -125.5 144.52 50.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.339 1.456 . . . . 0.0 111.806 -168.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.17 -151.24 45.12 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 121.399 0.444 . . . . 0.0 114.165 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.62 52.13 0.97 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.066 1.746 . . . . 0.0 113.281 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -14.02 113.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 130.989 3.716 . . . . 0.0 114.998 -174.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.63 150.6 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.021 0.928 . . . . 0.0 112.144 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -70.13 159.21 34.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.879 0.871 . . . . 0.0 110.195 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.266 1.027 . . . . 0.0 113.694 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.84 -23.33 58.43 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.356 -0.84 . . . . 0.0 112.973 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -81.81 -41.1 21.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.615 1.566 . . . . 0.0 111.672 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.08 -33.42 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.305 0.642 . . . . 0.0 111.034 171.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.4 -40.71 93.78 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.36 -0.837 . . . . 0.0 111.789 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.76 -40.23 83.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.508 0.595 . . . . 0.0 111.229 171.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttm -58.99 -53.97 52.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.298 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.2 mm -60.04 -37.4 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 121.247 1.839 . . . . 0.0 111.322 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.16 -31.68 63.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.849 1.26 . . . . 0.0 113.969 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.41 -17.65 13.42 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.191 1.396 . . . . 0.0 114.553 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.558 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -87.6 -33.43 18.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.878 2.071 . . . . 0.0 113.4 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 124.314 1.046 . . . . 0.0 111.679 175.822 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 N-CA-C 114.978 0.751 . . . . 0.0 114.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.58 104.32 11.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.842 1.321 . . . . 0.0 110.963 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.558 HG13 ' HB1' ' A' ' 128' ' ' ALA . 21.5 t -71.66 124.47 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.834 -0.541 . . . . 0.0 109.736 169.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -96.01 102.53 14.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.076 0.941 . . . . 0.0 110.215 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -71.72 -22.04 61.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.018 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -66.97 -37.82 84.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.0 1.273 . . . . 0.0 112.303 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -71.16 -41.35 70.52 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 110.952 168.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.45 -43.5 80.96 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.77 -43.19 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.299 -0.876 . . . . 0.0 110.903 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.36 -35.25 79.88 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.052 0.541 . . . . 0.0 111.988 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.3 ttp -69.12 -46.74 66.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.778 1.231 . . . . 0.0 112.75 173.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.62 -39.37 91.41 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.476 -0.765 . . . . 0.0 112.432 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.19 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -54.54 -43.58 72.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.672 1.123 . . . . 0.0 111.354 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.81 -22.26 63.32 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 2.8 m -104.02 -30.19 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.468 1.107 . . . . 0.0 112.952 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.9 m -56.3 -39.56 72.9 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.366 1.066 . . . . 0.0 109.875 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.15 88.95 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.382 0.673 . . . . 0.0 110.409 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.01 -37.84 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.007 -1.058 . . . . 0.0 112.266 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.17 -43.7 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 110.726 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.1 -39.09 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.516 1.126 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.77 -46.42 87.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.48 1.112 . . . . 0.0 111.571 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.51 -49.63 77.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 111.522 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.92 98.66 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.486 0.714 . . . . 0.0 112.156 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.7 t80 -66.7 -50.1 63.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.914 0.486 . . . . 0.0 112.149 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -66.88 -25.19 66.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -69.87 -46.2 66.02 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.121 0.873 . . . . 0.0 110.618 168.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.46 -31.02 72.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.578 1.151 . . . . 0.0 113.676 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 N--CA 1.473 0.697 0 C-N-CA 124.849 1.26 . . . . 0.0 112.804 174.032 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.6 -41.37 75.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.053 0.941 . . . . 0.0 112.45 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.17 -45.12 93.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.891 0.877 . . . . 0.0 110.684 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.11 -45.59 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 123.956 0.902 . . . . 0.0 110.764 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.03 -35.32 78.07 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.61 1.095 . . . . 0.0 113.086 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.52 -44.87 89.53 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.822 -1.174 . . . . 0.0 111.571 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -67.89 -32.47 72.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.664 0.786 . . . . 0.0 112.736 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.32 -47.58 85.41 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.413 1.485 . . . . 0.0 110.899 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.75 -33.51 76.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.18 63.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.861 0.755 . . . . 0.0 113.0 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -72.46 -45.57 58.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.389 -0.819 . . . . 0.0 112.911 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -62.49 -17.35 59.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.685 0.794 . . . . 0.0 113.119 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.67 -18.59 60.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.359 1.464 . . . . 0.0 113.9 172.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 35' ' ' VAL . 36.4 m-85 -129.24 3.57 5.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.657 1.583 . . . . 0.0 113.328 -178.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t0 . . . . . 0 CA--C 1.55 0.966 0 C-N-CA 126.285 1.834 . . . . 0.0 110.238 175.055 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 CA--C 1.546 0.797 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.84 28.81 20.15 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.436 1.017 . . . . 0.0 113.521 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -143.09 150.92 40.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.615 1.166 . . . . 0.0 113.142 -171.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.8 pt -124.29 168.35 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.361 1.865 . . . . 0.0 110.536 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -84.38 160.2 20.69 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.158 0.98 . . . . 0.0 112.953 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.59 -20.15 63.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 113.212 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -74.88 -46.77 33.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.154 0.888 . . . . 0.0 111.371 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.4 -22.3 62.76 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.589 1.156 . . . . 0.0 113.23 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.95 -61.36 1.31 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.511 1.524 . . . . 0.0 112.24 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.1 -23.61 71.42 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.506 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -70.23 -40.29 74.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.519 1.16 . . . . 0.0 111.102 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.295 1.8 m -72.23 -31.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 121.455 -0.778 . . . . 0.0 111.984 173.51 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtp -64.56 -45.52 86.72 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.508 1.049 . . . . 0.0 111.934 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -64.21 -27.57 69.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.581 0.752 . . . . 0.0 112.65 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -67.7 -25.17 65.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.912 0.885 . . . . 0.0 113.255 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -85.87 1.32 50.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.588 1.555 . . . . 0.0 113.049 169.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.9 -3.44 79.86 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.294 1.426 . . . . 0.0 115.19 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.01 120.49 26.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.062 1.431 . . . . 0.0 109.738 172.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -107.53 84.1 1.77 Allowed Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.531 0.732 . . . . 0.0 110.832 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -66.87 151.56 82.07 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.147 2.565 . . . . 0.0 111.114 174.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -72.64 159.17 34.29 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.103 -0.998 . . . . 0.0 111.109 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -68.46 -27.16 65.91 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.277 -1.514 . . . . 0.0 112.671 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.28 -38.53 68.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.639 0.776 . . . . 0.0 112.3 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.24 -40.99 94.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.067 1.347 . . . . 0.0 111.825 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 mt -60.61 -48.17 82.96 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.002 0.921 . . . . 0.0 111.373 170.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.27 -39.31 78.91 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.202 0.601 . . . . 0.0 112.052 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.99 -44.61 84.34 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.773 0.829 . . . . 0.0 112.621 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.46 -35.9 82.3 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.153 -0.967 . . . . 0.0 112.577 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.0 mt -71.37 -31.21 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 121.208 -0.933 . . . . 0.0 111.483 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -64.68 -28.26 69.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.158 1.345 . . . . 0.0 112.639 172.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -75.8 -50.11 16.15 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.82 0.736 . . . . 0.0 112.165 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.49 -49.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -173.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -99.65 48.47 0.94 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 0.0 112.885 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.37 65.04 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.87 -3.11 58.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.819 1.248 . . . . 0.0 114.348 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 41.29 61.59 Favored Glycine 0 CA--C 1.538 1.472 0 O-C-N 121.049 -1.032 . . . . 0.0 115.057 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -76.29 -24.41 54.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.361 1.465 . . . . 0.0 113.165 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.81 14.63 78.2 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.621 1.581 . . . . 0.0 114.825 -172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 p -138.57 158.25 44.61 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.126 1.37 . . . . 0.0 113.523 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.91 136.25 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.916 2.086 . . . . 0.0 108.816 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.58 157.7 19.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.429 0.692 . . . . 0.0 111.661 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -47.74 -55.19 18.19 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.61 -21.95 28.86 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.938 1.759 . . . . 0.0 113.377 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -72.11 -40.65 68.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.745 0.702 . . . . 0.0 111.209 172.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.68 -41.5 90.8 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.515 -0.741 . . . . 0.0 111.97 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.01 -21.4 63.55 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -35.36 78.77 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.875 0.761 . . . . 0.0 113.008 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.0 ptp -85.45 -30.44 23.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.952 0.796 . . . . 0.0 112.484 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -65.06 -31.58 72.86 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.631 -0.668 . . . . 0.0 111.953 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 123.462 0.705 . . . . 0.0 112.273 169.144 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.22 -32.66 73.03 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.186 -0.946 . . . . 0.0 112.797 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.94 -47.94 70.12 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.577 0.751 . . . . 0.0 111.254 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -60.47 -44.08 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.515 1.126 . . . . 0.0 110.381 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -59.99 -44.8 94.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.536 0.734 . . . . 0.0 112.346 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.87 -39.39 69.68 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.62 76.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.103 0.961 . . . . 0.0 112.628 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.34 -45.45 76.34 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.022 -1.049 . . . . 0.0 111.841 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -60.19 -26.4 66.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.0 t -60.57 -34.93 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.05 1.34 . . . . 0.0 112.382 169.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.47 -18.15 27.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.12 1.368 . . . . 0.0 114.184 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.2 t0 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 124.479 1.111 . . . . 0.0 111.469 -175.596 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 N-CA-C 114.13 0.412 . . . . 0.0 114.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.68 164.44 31.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.92 1.288 . . . . 0.0 110.946 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.76 153.0 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.864 1.666 . . . . 0.0 109.227 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 m -76.0 139.9 41.72 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.329 -1.482 . . . . 0.0 111.142 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.25 83.44 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.067 -1.021 . . . . 0.0 112.835 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.99 -29.5 70.43 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 174.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -75.75 -44.87 39.56 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.364 -0.835 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' A' ' 108' ' ' VAL . 16.5 tp -68.13 -36.95 80.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.28 0.946 . . . . 0.0 111.139 173.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -63.32 -36.89 85.17 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.392 0.996 . . . . 0.0 112.039 170.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.7 -65.03 0.75 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.545 170.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 105' ' ' LEU . 4.0 m -56.67 -41.37 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 120.543 1.519 . . . . 0.0 112.413 -175.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.1 mmt -74.63 -11.34 60.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 p -119.59 -1.01 10.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.942 1.297 . . . . 0.0 113.756 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.6 -29.99 8.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.588 1.555 . . . . 0.0 113.516 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.41 143.79 50.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.645 1.178 . . . . 0.0 110.767 -168.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.02 -145.84 34.14 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.732 0.629 . . . . 0.0 114.289 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.21 -9.65 58.46 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.383 1.473 . . . . 0.0 114.738 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm 54.55 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.102 2.561 . . . . 0.0 114.378 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.97 149.1 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.751 1.22 . . . . 0.0 112.064 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.4 171.83 10.54 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 122.131 0.967 . . . . 0.0 111.907 173.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -56.88 -48.99 76.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.689 1.996 . . . . 0.0 115.369 -174.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -81.77 -26.78 34.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.955 1.302 . . . . 0.0 112.321 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -44.73 77.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.058 1.343 . . . . 0.0 112.019 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.94 -30.73 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.271 0.628 . . . . 0.0 111.436 172.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.11 -38.77 82.62 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.02 -1.05 . . . . 0.0 112.078 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.56 -36.37 76.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.296 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.3 ttm -64.31 -49.34 72.15 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.821 0.849 . . . . 0.0 111.06 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.88 -45.26 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 119.343 0.974 . . . . 0.0 110.485 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -56.58 -36.91 69.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.817 1.247 . . . . 0.0 113.534 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -99.4 -23.31 15.18 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.58 -32.36 28.52 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 119.211 0.914 . . . . 0.0 113.162 174.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 125.574 1.55 . . . . 0.0 111.805 177.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.187 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -121.36 90.76 3.38 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.385 1.474 . . . . 0.0 108.996 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.5 m -73.39 101.4 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.257 1.023 . . . . 0.0 110.252 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.34 87.22 6.16 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.908 0.861 . . . . 0.0 110.534 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 142' ' ' VAL . 5.1 p90 -59.66 -31.35 69.46 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.717 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 -40.06 95.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 121.054 1.752 . . . . 0.0 112.239 -174.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.69 -36.38 70.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.133 -0.979 . . . . 0.0 111.768 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.07 -40.37 94.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.473 1.109 . . . . 0.0 113.264 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 138' ' ' TYR . 2.6 t -59.42 -47.63 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 119.378 0.99 . . . . 0.0 109.454 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -38.6 91.51 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.321 -174.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.5 ttp -66.28 -50.16 64.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.938 1.295 . . . . 0.0 112.756 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.57 -45.12 95.11 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.013 0.824 . . . . 0.0 111.48 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.658 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.25 -45.83 79.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.679 1.592 . . . . 0.0 111.776 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.8 -29.21 69.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.8 m -95.75 -29.49 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.294 1.038 . . . . 0.0 112.451 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.1 m -57.16 -41.05 78.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.369 1.068 . . . . 0.0 110.636 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.54 85.24 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.734 -0.603 . . . . 0.0 110.739 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 58.7 mt -62.75 -38.37 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.875 -1.141 . . . . 0.0 112.235 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.86 -40.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.074 0.95 . . . . 0.0 110.742 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.65 -39.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.468 1.107 . . . . 0.0 111.479 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -56.88 -45.12 82.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.339 1.056 . . . . 0.0 111.378 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.2 -56.28 23.8 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.749 1.22 . . . . 0.0 111.215 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.51 75.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.63 -50.08 64.16 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.665 0.386 . . . . 0.0 111.979 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -65.96 -33.04 74.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.426 -0.796 . . . . 0.0 112.002 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -57.89 -41.18 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.812 1.245 . . . . 0.0 111.007 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.9 t80 -71.03 -39.71 72.16 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 CA--C 1.544 0.738 0 O-C-N 121.172 -0.955 . . . . 0.0 111.891 174.768 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 119.23 -0.414 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -105.28 -1.84 24.74 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.96 137.58 57.82 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.393 -0.817 . . . . 0.0 111.94 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.44 147.8 30.8 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.461 0.704 . . . . 0.0 111.714 169.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -80.88 162.3 24.02 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.771 0.828 . . . . 0.0 110.004 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -57.53 -30.07 64.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.851 0.861 . . . . 0.0 112.844 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -70.64 -45.06 65.88 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.113 0.965 . . . . 0.0 111.869 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -45.95 92.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.29 0.636 . . . . 0.0 110.59 172.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.12 -45.48 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.073 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.72 74.7 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.765 1.166 . . . . 0.0 112.975 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.46 -46.65 75.67 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.113 -0.992 . . . . 0.0 111.573 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -65.69 -36.97 85.15 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.438 0.695 . . . . 0.0 112.279 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.21 -52.3 64.92 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.769 1.627 . . . . 0.0 110.936 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.42 -52.08 63.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.464 0.705 . . . . 0.0 111.62 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.4 75.67 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -71.05 -47.6 57.57 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.454 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -62.44 -28.32 69.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.638 1.175 . . . . 0.0 113.153 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.25 -19.39 13.8 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.807 1.243 . . . . 0.0 113.854 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' CD2' HG22 ' A' ' 35' ' ' VAL . 42.4 m-85 -120.59 4.27 10.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 112.817 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -72.44 125.4 27.3 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.706 -1.246 . . . . 0.0 110.202 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.617 ' H ' ' HD2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -78.04 -22.68 48.8 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.805 1.642 . . . . 0.0 114.5 -174.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -135.13 -10.5 2.25 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 12.36 84.23 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.19 0.9 . . . . 0.0 113.281 -169.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -81.62 -3.83 54.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.57 1.548 . . . . 0.0 113.698 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.58 30.63 26.55 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.017 1.294 . . . . 0.0 114.229 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.5 p -140.63 158.19 44.35 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.916 1.358 . . . . 0.0 114.302 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -135.63 171.82 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 127.527 2.331 . . . . 0.0 110.516 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.4 p -83.7 159.06 21.59 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 122.421 1.105 . . . . 0.0 112.925 169.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.419 ' HB ' HD13 ' A' ' 52' ' ' ILE . 36.0 p -60.41 -28.25 68.11 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.449 1.099 . . . . 0.0 112.54 170.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.29 -40.63 74.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.815 1.246 . . . . 0.0 112.547 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -72.97 -20.63 61.0 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.12 -58.33 4.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.907 1.231 . . . . 0.0 112.096 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.99 -26.99 73.27 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.179 -0.95 . . . . 0.0 113.388 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -70.29 -38.96 75.13 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.004 0.902 . . . . 0.0 111.078 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 19' ' ' PHE . 52.9 t -64.04 -45.35 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.324 1.049 . . . . 0.0 110.529 171.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.6 mtp -57.06 -41.46 78.77 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.766 1.166 . . . . 0.0 112.136 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -67.58 -22.61 65.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.834 0.853 . . . . 0.0 113.028 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.1 t -67.89 -33.12 74.11 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.327 0.967 . . . . 0.0 111.866 169.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.14 2.64 17.38 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.559 1.144 . . . . 0.0 112.818 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.19 -1.15 86.11 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.587 1.565 . . . . 0.0 115.151 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -90.12 121.01 31.78 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.844 1.322 . . . . 0.0 110.629 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -101.06 96.15 5.46 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.572 0.749 . . . . 0.0 110.89 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.8 155.12 53.93 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.095 3.197 . . . . 0.0 113.114 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.53 149.28 38.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.452 1.101 . . . . 0.0 110.38 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -59.71 -34.47 72.94 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.636 -1.29 . . . . 0.0 112.837 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.31 88.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.064 0.946 . . . . 0.0 112.834 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.74 -46.64 78.1 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.744 -0.597 . . . . 0.0 110.866 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.36 -47.61 83.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.948 0.499 . . . . 0.0 111.431 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -60.85 -41.65 96.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -65.57 -42.33 91.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.57 0.748 . . . . 0.0 112.656 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.5 -42.65 87.08 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.373 -0.829 . . . . 0.0 111.852 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 ' HB ' ' A' ' 29' ' ' THR . 60.3 mt -68.21 -31.11 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 123.465 0.706 . . . . 0.0 111.762 177.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.7 -36.68 72.3 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.271 1.396 . . . . 0.0 112.335 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -85.86 -41.15 15.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.673 0.789 . . . . 0.0 112.702 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.15 -46.52 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.466 1.106 . . . . 0.0 112.801 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -104.38 45.31 0.97 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.518 1.527 . . . . 0.0 112.587 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.19 -23.8 64.28 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.02 -1.05 . . . . 0.0 113.527 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -83.79 -8.05 59.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.775 1.23 . . . . 0.0 114.084 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.21 35.1 69.95 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.653 1.12 . . . . 0.0 115.091 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -78.13 -18.49 55.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.105 1.362 . . . . 0.0 113.555 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.81 15.37 81.36 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.145 1.355 . . . . 0.0 114.462 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.3 p -135.89 159.36 41.92 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.194 1.398 . . . . 0.0 113.756 -173.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.2 mt -137.94 137.85 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 127.242 2.217 . . . . 0.0 109.039 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.61 157.24 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.469 0.708 . . . . 0.0 111.577 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -42.38 -52.64 9.93 Favored Pre-proline 0 CA--C 1.55 0.956 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.41 -28.79 26.54 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.956 1.771 . . . . 0.0 114.301 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -29.39 64.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.146 -0.971 . . . . 0.0 112.365 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -69.92 -47.26 63.15 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 0.0 111.212 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.06 -32.48 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.032 -1.043 . . . . 0.0 112.676 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -51.37 -47.23 62.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.412 1.485 . . . . 0.0 112.347 172.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.2 ptp -80.8 -34.07 34.32 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.61 0.641 . . . . 0.0 112.235 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.8 mmm -63.86 -33.11 74.95 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.391 0.541 . . . . 0.0 112.193 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.09 -54.03 51.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.525 0.73 . . . . 0.0 111.318 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -63.3 -38.44 91.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.481 1.112 . . . . 0.0 112.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -63.59 -33.93 76.69 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.71 -37.24 70.67 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.225 0.921 . . . . 0.0 112.272 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.48 -17.01 63.46 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.29 -13.26 3.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.9 p -114.36 -5.88 12.92 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -155.78 19.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.2 t -60.55 152.25 26.56 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.521 -1.362 . . . . 0.0 112.179 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -58.46 -42.6 87.83 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.267 -0.896 . . . . 0.0 111.982 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -68.5 -35.97 78.24 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.612 -0.68 . . . . 0.0 112.392 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.41 -45.86 85.77 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.876 0.87 . . . . 0.0 111.428 174.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -65.52 -45.83 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.674 1.19 . . . . 0.0 110.982 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -60.55 -39.83 89.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.758 1.163 . . . . 0.0 112.373 177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -68.9 -45.52 70.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.752 0.705 . . . . 0.0 111.839 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.44 80.65 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.158 0.983 . . . . 0.0 112.833 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.36 -43.85 72.75 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.219 -0.926 . . . . 0.0 112.41 172.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 -58.87 -26.69 64.48 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.69 -32.92 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.191 1.396 . . . . 0.0 112.328 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 14.4 m-85 -92.99 -24.26 18.42 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.903 1.281 . . . . 0.0 113.96 176.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -59.73 111.28 1.38 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.349 1.06 . . . . 0.0 110.252 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.34 -21.51 60.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -122.85 -15.23 7.47 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 19.88 78.92 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.168 0.89 . . . . 0.0 112.611 -168.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -83.52 -0.24 49.45 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.814 1.645 . . . . 0.0 114.261 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.53 17.72 75.13 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 119.362 0.983 . . . . 0.0 113.609 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 162.33 38.67 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.473 1.509 . . . . 0.0 111.176 -177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.5 mt -132.65 140.84 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.584 1.954 . . . . 0.0 108.613 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -66.21 142.72 57.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.48 -1.387 . . . . 0.0 111.252 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.4 95.41 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.001 -1.062 . . . . 0.0 112.831 -174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.07 -28.56 68.93 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.473 0.709 . . . . 0.0 112.869 174.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.95 -49.53 36.67 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.875 0.87 . . . . 0.0 111.163 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.63 -40.49 95.57 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.012 0.824 . . . . 0.0 110.825 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -58.01 -40.73 81.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.26 1.024 . . . . 0.0 112.5 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -59.02 -59.14 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.584 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.561 HG13 HD12 ' A' ' 112' ' ' LEU . 1.6 t -59.31 -46.05 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.982 1.265 . . . . 0.0 111.202 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.5 mmt -66.88 -14.6 62.91 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.0 p -120.33 8.57 10.85 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -106.61 -45.28 4.27 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.206 1.402 . . . . 0.0 111.398 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.561 HD12 HG13 ' A' ' 108' ' ' VAL . 15.0 mt -116.11 157.53 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 111.394 -167.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.02 -148.45 50.95 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 121.721 0.623 . . . . 0.0 113.878 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -71.44 -12.92 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.085 1.754 . . . . 0.0 114.739 -172.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.2 129.57 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.004 2.521 . . . . 0.0 112.54 -166.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.59 150.96 26.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.279 0.632 . . . . 0.0 109.446 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.95 159.82 29.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.954 0.902 . . . . 0.0 110.717 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -49.83 -46.5 51.23 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.321 1.448 . . . . 0.0 114.055 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -79.99 -21.7 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 0.0 113.007 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -81.6 -41.13 21.97 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.809 1.643 . . . . 0.0 111.789 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.37 -34.69 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 121.706 -0.621 . . . . 0.0 111.136 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -66.21 -44.09 84.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.446 0.698 . . . . 0.0 111.255 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.36 -40.56 74.73 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.643 0.777 . . . . 0.0 111.617 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.36 -51.0 69.92 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.871 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.98 -34.31 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 120.53 1.514 . . . . 0.0 111.752 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -59.42 -28.7 67.17 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.625 1.102 . . . . 0.0 113.591 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -117.27 -22.54 8.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.637 1.575 . . . . 0.0 113.829 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -75.17 -34.24 61.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.907 2.083 . . . . 0.0 112.506 169.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.87 137.85 32.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.134 1.374 . . . . 0.0 110.439 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.6 tt -64.0 -31.77 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.668 1.187 . . . . 0.0 114.078 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -147.42 -2.48 0.58 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.4 25.97 34.64 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.794 1.187 . . . . 0.0 114.475 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -73.85 -10.31 59.53 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.732 1.213 . . . . 0.0 114.123 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.88 20.64 23.38 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.28 1.895 . . . . 0.0 113.823 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -129.45 104.22 7.35 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.709 1.604 . . . . 0.0 110.196 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.488 HG13 ' HB1' ' A' ' 128' ' ' ALA . 8.7 t -73.21 131.09 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.86 89.11 3.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 122.386 1.089 . . . . 0.0 111.652 170.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -62.36 -27.8 69.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.238 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.79 -27.84 69.17 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.387 0.994 . . . . 0.0 113.174 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -86.54 -37.91 17.71 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -61.91 -41.86 98.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.364 1.066 . . . . 0.0 112.804 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.6 p -60.15 -42.44 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.332 1.053 . . . . 0.0 112.084 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -64.96 -43.3 93.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.192 0.597 . . . . 0.0 111.004 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.6 ttp -61.41 -45.56 93.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.045 0.938 . . . . 0.0 112.622 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.8 mtm -66.97 -38.98 87.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.4 p -84.98 -21.04 29.67 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.67 137.41 55.54 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.385 0.993 . . . . 0.0 112.827 175.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.251 1.143 0 C-N-CA 124.89 1.276 . . . . 0.0 110.553 169.658 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 CA-C-O 119.41 -0.661 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.97 141.18 76.24 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.254 2.636 . . . . 0.0 112.345 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 72.98 10.74 78.18 Favored Glycine 0 CA--C 1.538 1.516 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 138.12 57.92 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.021 1.411 . . . . 0.0 113.218 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -155.49 11.5 0.32 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -52.91 -38.28 61.67 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.796 1.638 . . . . 0.0 114.671 -169.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.47 -47.25 69.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.817 1.247 . . . . 0.0 111.92 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -87.05 -36.45 18.17 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.557 0.743 . . . . 0.0 112.192 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -55.17 -49.27 72.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.215 1.406 . . . . 0.0 111.987 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.452 ' HA ' HD13 ' A' ' 112' ' ' LEU . 18.0 tt0 -71.07 -19.45 62.48 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.7 m -101.95 -32.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.637 1.175 . . . . 0.0 112.334 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.7 m -59.49 -39.66 84.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.564 1.146 . . . . 0.0 111.259 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.22 -40.84 74.7 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.786 -0.572 . . . . 0.0 111.213 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.5 mt -61.29 -40.44 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.439 0.696 . . . . 0.0 111.442 -174.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.93 -43.85 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.619 1.168 . . . . 0.0 111.153 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.44 -36.7 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.722 0.809 . . . . 0.0 110.509 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.07 -41.91 97.17 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 111.889 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -58.62 -50.54 73.46 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.559 0.744 . . . . 0.0 111.131 173.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.2 96.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.755 0.822 . . . . 0.0 112.439 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.21 -52.36 35.09 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -66.03 -26.8 67.68 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.491 -0.756 . . . . 0.0 112.648 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.34 -44.76 86.71 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 118.974 0.807 . . . . 0.0 111.1 169.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.69 -34.54 78.44 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.3 mt -52.78 -29.32 26.77 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.444 1.02 . . . . 0.0 113.054 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.81 -34.6 74.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.1 0.96 . . . . 0.0 112.727 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -67.84 -33.1 74.11 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.492 1.117 . . . . 0.0 112.428 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -73.29 -7.21 50.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -128.58 18.53 6.3 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.727 1.611 . . . . 0.0 114.208 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 8.9 p -65.55 147.26 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.534 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.57 136.47 56.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.443 1.097 . . . . 0.0 111.542 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 23.3 mmtm . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.314 2.245 . . . . 0.0 111.151 177.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.658 0.266 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -93.09 10.98 29.28 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.517 1.527 . . . . 0.0 114.175 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.76 139.93 58.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.161 -0.962 . . . . 0.0 112.727 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.6 148.64 31.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.35 1.06 . . . . 0.0 110.89 168.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 p -69.4 159.12 33.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.349 0.66 . . . . 0.0 110.403 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -56.98 -30.29 63.98 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.359 -0.838 . . . . 0.0 112.596 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -73.03 -42.45 63.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.487 1.115 . . . . 0.0 112.193 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -67.41 -39.76 85.53 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.679 -0.638 . . . . 0.0 112.405 173.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -60.51 -44.92 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.195 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.93 89.03 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.422 1.01 . . . . 0.0 113.212 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.42 -46.65 79.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.201 -0.937 . . . . 0.0 111.997 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -68.52 -33.19 73.69 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.532 0.733 . . . . 0.0 112.757 175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.47 -48.37 71.87 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.271 1.428 . . . . 0.0 110.898 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.65 -55.55 22.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.592 0.757 . . . . 0.0 111.311 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -29.29 70.29 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -75.66 -52.12 11.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.108 0.867 . . . . 0.0 111.801 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.8 p -64.35 -20.55 66.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -28.23 27.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.981 1.712 . . . . 0.0 112.924 168.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CD2' HG22 ' A' ' 35' ' ' VAL . 74.1 m-85 -116.7 1.48 12.81 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.006 1.322 . . . . 0.0 113.636 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.82 104.64 2.52 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.989 0.9 . . . . 0.0 110.161 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.79 -8.66 59.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.036 1.735 . . . . 0.0 114.988 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -119.39 -21.64 7.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.946 1.298 . . . . 0.0 114.295 -176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.74 10.24 84.47 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.813 1.196 . . . . 0.0 114.041 -171.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -85.15 -3.78 58.92 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.402 1.481 . . . . 0.0 114.393 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 29.51 38.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.287 0.946 . . . . 0.0 113.587 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -139.86 159.83 41.29 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.4 1.48 . . . . 0.0 112.643 -174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 pt -133.2 172.03 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 126.646 1.978 . . . . 0.0 110.608 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -84.26 161.36 20.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 122.518 1.151 . . . . 0.0 112.823 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 p -61.6 -23.99 66.38 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.44 1.096 . . . . 0.0 113.033 169.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -84.01 -33.69 24.49 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.0 -23.32 63.12 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.827 170.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.97 -59.14 3.3 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.221 1.373 . . . . 0.0 112.128 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.62 69.08 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.256 -0.902 . . . . 0.0 113.275 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 m -76.05 -36.51 59.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.988 0.915 . . . . 0.0 111.791 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 19' ' ' PHE . 53.0 t -63.83 -39.74 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.79 0.836 . . . . 0.0 110.467 169.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.0 mtp -63.92 -42.11 97.48 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.18 -0.95 . . . . 0.0 112.1 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.6 -36.48 78.67 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 121.279 -0.888 . . . . 0.0 112.582 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.7 t -63.34 -36.26 83.12 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.872 0.869 . . . . 0.0 112.073 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -81.17 25.72 0.47 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.207 1.803 . . . . 0.0 113.531 169.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.54 15.56 77.51 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 168.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -141.48 128.63 20.91 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.296 1.548 . . . . 0.0 112.409 -174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -103.52 94.33 5.89 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 124.128 0.971 . . . . 0.0 111.506 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.7 156.33 66.43 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.677 2.918 . . . . 0.0 112.244 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -76.46 159.71 30.17 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.66 -0.65 . . . . 0.0 111.659 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -38.89 82.77 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.297 -0.877 . . . . 0.0 111.986 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.0 83.68 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.882 0.873 . . . . 0.0 112.334 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.4 -42.12 88.33 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.456 -0.778 . . . . 0.0 111.91 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.82 -47.75 83.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.653 -0.655 . . . . 0.0 111.226 171.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.53 -41.37 89.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.541 0.609 . . . . 0.0 112.168 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -64.38 -39.43 93.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.941 0.896 . . . . 0.0 113.068 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -70.91 -42.28 70.11 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.481 -0.762 . . . . 0.0 111.977 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -68.01 -28.75 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.26 1.024 . . . . 0.0 111.883 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -58.96 -33.17 70.34 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.078 1.308 . . . . 0.0 112.987 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -85.45 -46.78 10.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.412 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -68.18 -40.58 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 0.0 113.409 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -115.18 48.07 1.22 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.173 1.789 . . . . 0.0 111.837 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.77 62.75 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.085 -1.009 . . . . 0.0 113.229 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -78.17 -13.81 59.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.054 1.341 . . . . 0.0 114.045 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.56 29.62 69.58 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.817 1.199 . . . . 0.0 115.35 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -77.93 -16.93 57.8 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 118.725 1.262 . . . . 0.0 113.802 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.06 18.41 74.75 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.563 1.554 . . . . 0.0 114.514 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -137.35 160.17 39.84 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.887 1.275 . . . . 0.0 114.055 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.3 mt -142.53 136.15 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.879 2.072 . . . . 0.0 109.208 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.63 157.35 18.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.345 0.658 . . . . 0.0 111.529 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -45.45 -55.65 11.49 Favored Pre-proline 0 CA--C 1.547 0.852 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.81 -24.08 25.28 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.971 1.781 . . . . 0.0 113.624 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.11 -34.11 65.97 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.475 -0.766 . . . . 0.0 111.618 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.08 -40.41 90.83 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.523 -0.735 . . . . 0.0 112.417 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.42 -23.02 65.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -58.63 -37.73 76.53 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.891 0.769 . . . . 0.0 112.83 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.85 -31.97 25.49 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.13 0.572 . . . . 0.0 112.106 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -63.97 -34.99 79.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.124 0.569 . . . . 0.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.77 68.77 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.096 0.958 . . . . 0.0 112.997 171.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -80.56 -42.19 22.77 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.531 1.132 . . . . 0.0 112.136 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -60.57 -28.78 68.73 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.0 mtm -65.3 -14.3 60.44 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.12 -31.07 72.13 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.44 1.473 . . . . 0.0 114.077 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -122.45 126.13 47.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.396 1.079 . . . . 0.0 111.537 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -83.12 -21.86 33.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.616 1.166 . . . . 0.0 113.007 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -145.77 150.59 36.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.593 1.557 . . . . 0.0 112.248 -169.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.5 t -71.23 141.71 50.59 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.481 0.712 . . . . 0.0 112.297 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -57.75 -37.25 73.29 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.465 0.706 . . . . 0.0 111.934 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -39.28 92.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.806 0.842 . . . . 0.0 111.279 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -47.34 59.4 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.656 1.182 . . . . 0.0 111.728 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.64 -44.9 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.093 0.957 . . . . 0.0 110.604 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.2 ttp-105 -63.79 -42.41 97.75 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.0 0.818 . . . . 0.0 111.985 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.96 -44.05 90.64 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.5 0.591 . . . . 0.0 111.996 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.59 83.5 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.4 1.08 . . . . 0.0 112.778 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -68.65 -43.54 76.03 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.124 -0.985 . . . . 0.0 112.077 172.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.81 -26.81 67.58 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.487 -0.758 . . . . 0.0 112.981 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.49 -31.3 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.046 0.938 . . . . 0.0 112.541 169.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 12.8 m-85 -92.16 -24.64 19.02 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.498 1.119 . . . . 0.0 113.83 174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -59.07 118.28 5.66 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.362 0.983 . . . . 0.0 109.702 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -64.57 -23.52 67.29 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -149.43 1.47 0.53 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 32.64 56.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 120.672 -1.268 . . . . 0.0 112.943 -170.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -83.02 -2.3 54.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.261 1.424 . . . . 0.0 113.645 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 23.12 65.56 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 119.12 0.873 . . . . 0.0 113.109 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 162.0 40.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.463 1.105 . . . . 0.0 112.524 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.03 143.19 40.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 127.219 2.208 . . . . 0.0 107.936 174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 150.95 43.48 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 119.884 -1.76 . . . . 0.0 112.568 175.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.4 98.92 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.913 -1.117 . . . . 0.0 112.345 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.28 -33.07 73.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.237 0.615 . . . . 0.0 111.905 173.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.97 -44.62 69.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.054 1.342 . . . . 0.0 112.796 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -71.01 -40.68 71.67 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.944 0.793 . . . . 0.0 110.861 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.3 ttt-85 -59.01 -39.92 83.35 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.986 0.812 . . . . 0.0 112.002 173.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -57.32 -62.79 1.52 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 118.515 0.598 . . . . 0.0 110.672 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.724 HG23 HD12 ' A' ' 112' ' ' LEU . 14.8 p -64.83 -36.37 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-N 119.03 0.832 . . . . 0.0 112.834 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -69.44 -12.16 61.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.3 p -121.28 3.2 10.34 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.669 1.188 . . . . 0.0 113.832 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -109.09 -39.52 5.25 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.389 1.875 . . . . 0.0 112.494 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.724 HD12 HG23 ' A' ' 108' ' ' VAL . 27.7 mt -125.42 141.04 52.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.508 1.123 . . . . 0.0 111.248 -169.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.26 -146.88 30.94 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.14 -11.91 61.22 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.566 1.546 . . . . 0.0 114.92 -171.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.88 99.95 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.087 2.555 . . . . 0.0 114.435 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.45 150.85 38.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.772 1.229 . . . . 0.0 112.35 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 160.3 30.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.729 0.812 . . . . 0.0 110.161 169.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -60.33 -39.31 86.61 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.103 -0.998 . . . . 0.0 113.363 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -71.86 -33.5 68.46 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.943 -1.098 . . . . 0.0 112.439 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -40.77 66.04 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.962 1.305 . . . . 0.0 111.703 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.79 -33.65 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.434 -0.791 . . . . 0.0 111.582 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.61 -37.87 83.12 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.164 -0.96 . . . . 0.0 111.838 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -59.3 -38.79 81.12 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.313 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.1 ttm -59.93 -53.62 55.78 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.872 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.2 mm -58.51 -37.46 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 120.931 1.696 . . . . 0.0 111.585 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.0 ttp85 -57.26 -26.8 61.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.095 1.358 . . . . 0.0 114.2 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -118.79 -20.93 8.04 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.471 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -75.38 -33.69 61.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.027 2.131 . . . . 0.0 112.447 170.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -100.9 119.19 38.33 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.884 1.274 . . . . 0.0 109.885 168.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.79 -30.39 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.8 1.24 . . . . 0.0 112.187 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -99.59 -25.27 14.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.858 1.263 . . . . 0.0 113.638 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.63 13.16 83.48 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.181 1.372 . . . . 0.0 114.421 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -81.57 0.41 38.38 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.188 1.395 . . . . 0.0 114.045 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.75 22.87 14.81 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.4 1.952 . . . . 0.0 114.604 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.99 104.28 7.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.107 1.363 . . . . 0.0 110.779 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.471 HG13 ' HB1' ' A' ' 128' ' ' ALA . 5.8 t -72.88 128.46 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.112 0.565 . . . . 0.0 110.071 171.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -98.52 94.85 6.92 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 121.375 -0.828 . . . . 0.0 109.321 167.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.541 ' O ' HG23 ' A' ' 142' ' ' VAL . 7.5 p90 -59.75 -29.12 67.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.824 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.63 -38.06 80.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.07 1.304 . . . . 0.0 112.672 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -74.65 -38.54 62.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.542 0.737 . . . . 0.0 111.309 170.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -65.04 -42.52 94.25 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.48 1.112 . . . . 0.0 113.38 -176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 138' ' ' TYR . 3.0 t -58.2 -47.53 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 119.471 1.032 . . . . 0.0 109.355 176.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -66.94 -36.16 81.61 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.87 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.3 ttp -67.26 -48.16 68.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.002 1.321 . . . . 0.0 112.709 171.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.8 mtm -61.54 -42.61 99.08 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.129 0.877 . . . . 0.0 111.761 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p -85.59 10.75 12.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.494 1.518 . . . . 0.0 114.542 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 137.77 58.29 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.916 -1.115 . . . . 0.0 112.48 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.909 1.683 . . . . 0.0 113.408 -172.735 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 CA-C-O 118.392 -1.226 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -57.11 147.82 73.18 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.857 3.038 . . . . 0.0 114.357 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 76.76 120.92 0.17 Allowed Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.525 1.536 . . . . 0.0 113.403 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 8.6 t -147.61 166.97 25.76 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 21.1 tptm -70.15 163.1 27.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.241 2.217 . . . . 0.0 112.788 -173.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . 0.421 ' HA ' ' HB3' ' B' 1905 ' ' GLU . 13.0 tpp85 -50.77 -36.13 35.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.839 1.656 . . . . 0.0 114.433 -175.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -58.31 -39.02 78.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.008 0.923 . . . . 0.0 113.141 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -85.76 -38.22 18.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.243 1.017 . . . . 0.0 112.506 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' B' 1902 ' ' ARG . 61.2 tt0 -55.51 -46.05 77.02 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.041 1.337 . . . . 0.0 112.069 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.419 ' HA ' HD13 ' A' ' 112' ' ' LEU . 46.9 tt0 -66.63 -24.77 66.35 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 6.1 m -99.87 -31.66 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.274 1.03 . . . . 0.0 112.118 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.5 m -56.79 -40.58 76.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.774 1.23 . . . . 0.0 111.117 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.0 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.359 0.663 . . . . 0.0 110.839 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.99 -38.16 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.301 -0.874 . . . . 0.0 111.849 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.62 -43.45 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.92 1.288 . . . . 0.0 111.023 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.49 -41.31 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -55.1 -49.58 71.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.297 1.039 . . . . 0.0 111.121 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -60.46 -52.79 63.7 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.149 1.38 . . . . 0.0 111.834 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.32 -32.1 69.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.2 t80 -69.95 -49.51 51.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -66.99 -29.34 69.16 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.182 1.355 . . . . 0.0 111.202 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -60.21 -43.11 96.25 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.469 -0.769 . . . . 0.0 110.857 168.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 91.7 t80 -66.01 -39.48 90.29 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 173.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.51 -39.4 73.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.325 -0.859 . . . . 0.0 111.593 171.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.55 -29.59 68.19 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.208 -0.933 . . . . 0.0 113.093 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.83 -43.61 83.28 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.771 1.169 . . . . 0.0 111.178 169.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.9 -30.0 67.46 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -71.67 -17.65 62.23 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.594 1.158 . . . . 0.0 113.803 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 22.9 m -124.04 -20.19 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 51.6 pttt -73.16 158.73 34.71 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.937 1.244 . . . . 0.0 113.188 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.333 1.453 . . . . 0.0 112.462 176.358 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.694 0.283 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -132.95 25.33 4.28 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.681 1.592 . . . . 0.0 113.135 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -62.7 141.93 58.33 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.794 1.238 . . . . 0.0 111.937 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -87.16 143.35 27.34 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 169.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.1 p -70.59 161.51 30.56 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.031 0.932 . . . . 0.0 111.412 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -58.32 -34.08 70.2 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.176 -0.953 . . . . 0.0 112.158 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -69.73 -43.3 72.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.284 1.034 . . . . 0.0 112.505 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -63.52 -45.32 91.17 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.448 0.699 . . . . 0.0 111.143 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -45.05 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 123.999 0.919 . . . . 0.0 110.474 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.9 -36.29 83.89 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 118.883 0.765 . . . . 0.0 113.037 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.33 -45.79 79.03 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.251 -0.906 . . . . 0.0 111.902 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -65.38 -34.28 77.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.468 0.707 . . . . 0.0 112.669 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -54.32 -50.94 66.21 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.572 1.549 . . . . 0.0 111.641 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.54 -50.14 64.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.663 0.785 . . . . 0.0 111.666 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.07 -34.0 74.22 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -74.66 -49.22 22.21 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.013 0.824 . . . . 0.0 112.258 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -60.11 -24.45 64.66 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.315 1.046 . . . . 0.0 112.7 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.13 -21.0 7.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.923 1.689 . . . . 0.0 114.593 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' HG12 ' A' ' 35' ' ' VAL . 24.9 m-85 -129.77 7.44 5.2 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.553 1.541 . . . . 0.0 113.108 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -68.66 128.1 35.44 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.808 1.29 . . . . 0.0 111.359 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -69.56 -38.73 77.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.026 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -125.46 -14.17 6.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.41 7.59 82.28 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.852 1.215 . . . . 0.0 113.28 -169.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -87.9 1.93 52.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.857 1.663 . . . . 0.0 114.108 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.88 32.56 9.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.394 0.997 . . . . 0.0 114.915 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.0 p -139.75 152.97 47.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.038 1.419 . . . . 0.0 113.651 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.05 171.25 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 126.822 2.049 . . . . 0.0 110.656 173.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.1 p -84.54 155.55 22.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 122.224 1.012 . . . . 0.0 112.459 169.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.469 ' HB ' HD13 ' A' ' 52' ' ' ILE . 40.0 p -62.94 -25.65 68.44 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.921 0.888 . . . . 0.0 112.401 172.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -75.41 -38.0 60.1 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.47 -12.83 59.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -43.53 -57.51 3.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.819 1.248 . . . . 0.0 111.527 176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.22 -21.9 74.18 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.665 -0.519 . . . . 0.0 114.204 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.01 -41.33 71.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.464 1.132 . . . . 0.0 110.193 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.298 1.4 m -71.35 -35.78 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.457 -0.783 . . . . 0.0 112.296 175.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.12 -38.24 70.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.177 1.353 . . . . 0.0 112.784 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -67.86 -23.02 65.09 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.2 t -69.53 -30.43 68.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.985 0.811 . . . . 0.0 112.087 169.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.17 2.76 38.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.778 1.231 . . . . 0.0 112.918 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.42 1.01 90.29 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.272 1.415 . . . . 0.0 115.845 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -91.62 125.46 36.36 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.482 1.641 . . . . 0.0 110.577 171.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.59 91.36 4.04 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.586 1.154 . . . . 0.0 108.783 175.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.25 151.8 38.87 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.899 3.066 . . . . 0.0 112.449 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -79.77 164.64 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.51 -35.56 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.927 -1.108 . . . . 0.0 112.049 172.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.17 82.98 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.953 0.901 . . . . 0.0 112.359 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.92 -47.17 86.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.436 0.694 . . . . 0.0 110.914 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.82 -49.29 78.08 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.682 -0.636 . . . . 0.0 112.46 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.88 -39.64 95.08 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.289 0.95 . . . . 0.0 112.02 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.94 -41.6 97.58 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.515 0.726 . . . . 0.0 112.302 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.6 mtm -68.27 -43.02 78.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.509 -0.744 . . . . 0.0 112.142 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 HD13 ' HB ' ' A' ' 29' ' ' THR . 56.7 mt -66.36 -26.6 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 118.881 0.764 . . . . 0.0 111.954 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.19 -25.2 58.62 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.732 -1.23 . . . . 0.0 112.796 173.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -82.25 -17.21 46.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 13.0 m -121.17 -22.67 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -169.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.52 46.27 1.7 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.334 0.97 . . . . 0.0 113.362 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.47 -24.98 64.04 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.148 -0.97 . . . . 0.0 113.405 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -83.08 -8.08 59.57 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.946 1.298 . . . . 0.0 114.369 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.65 39.34 56.04 Favored Glycine 0 CA--C 1.538 1.489 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -75.86 -23.08 55.64 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.932 1.293 . . . . 0.0 112.739 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.71 18.99 79.03 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 126.879 2.18 . . . . 0.0 115.088 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -135.4 157.88 45.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.127 1.371 . . . . 0.0 113.518 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 mt -139.8 137.62 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 127.011 2.124 . . . . 0.0 108.611 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.57 159.22 18.67 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.683 0.674 . . . . 0.0 111.722 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -48.73 -56.22 16.06 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.36 -21.33 30.86 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.945 1.764 . . . . 0.0 113.102 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -41.16 68.47 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.435 0.561 . . . . 0.0 111.307 173.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -60.35 -39.99 89.13 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.15 -0.969 . . . . 0.0 112.18 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.34 -22.54 65.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -38.62 87.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.728 . . . . 0.0 112.645 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.88 -32.23 25.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.721 -0.612 . . . . 0.0 111.915 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mmm -64.77 -36.93 85.89 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.697 -0.627 . . . . 0.0 112.465 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.13 78.09 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.145 0.578 . . . . 0.0 112.103 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mmt85 -71.67 -38.48 70.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.305 1.042 . . . . 0.0 112.246 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -67.04 -26.06 66.57 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 52.3 mtm -75.14 -33.51 61.55 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.545 1.066 . . . . 0.0 112.559 168.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.62 -34.84 72.55 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.242 1.017 . . . . 0.0 112.522 173.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -58.03 164.11 2.46 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.602 1.961 . . . . 0.0 113.648 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.3 m -139.61 148.44 42.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.006 1.722 . . . . 0.0 110.801 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.8 153.67 10.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.979 1.312 . . . . 0.0 114.426 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -61.69 130.11 44.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.299 1.039 . . . . 0.0 113.525 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -64.95 -34.18 77.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.51 1.124 . . . . 0.0 112.466 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.43 -42.45 98.7 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.678 0.791 . . . . 0.0 111.687 171.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -69.72 -47.85 61.62 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.6 0.76 . . . . 0.0 111.948 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.79 -46.21 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.954 0.902 . . . . 0.0 110.245 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.47 -42.5 98.88 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.864 0.866 . . . . 0.0 112.507 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -72.51 -39.5 67.57 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.881 0.764 . . . . 0.0 112.712 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.07 -36.23 79.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.345 1.058 . . . . 0.0 112.421 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.96 -43.89 81.95 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.092 -1.005 . . . . 0.0 112.135 170.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -60.28 -26.27 66.36 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.25 -31.12 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.129 1.372 . . . . 0.0 112.734 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.0 m-85 -91.86 -21.76 20.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.671 1.188 . . . . 0.0 113.922 175.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -58.68 125.28 22.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.114 0.966 . . . . 0.0 110.204 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -68.04 -28.22 67.2 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.827 1.251 . . . . 0.0 113.808 -170.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -137.11 -9.91 1.74 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.21 25.74 54.2 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.413 1.006 . . . . 0.0 112.68 -169.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -79.71 -4.62 52.65 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.512 1.525 . . . . 0.0 114.188 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.82 19.04 64.2 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.855 1.217 . . . . 0.0 113.69 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.4 164.21 34.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.104 1.362 . . . . 0.0 111.665 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.8 mt -131.11 137.67 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.305 1.842 . . . . 0.0 108.837 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.8 m -64.57 141.86 58.62 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.266 -1.521 . . . . 0.0 111.685 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.96 87.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.329 -0.857 . . . . 0.0 112.598 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.12 72.2 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -75.47 -42.22 53.61 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.923 0.889 . . . . 0.0 112.145 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.4 -40.08 81.44 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.024 0.829 . . . . 0.0 110.776 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.4 ttt-85 -61.03 -40.53 93.93 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.47 0.708 . . . . 0.0 111.8 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -56.27 -62.78 1.48 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.535 0.734 . . . . 0.0 110.448 172.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.804 HG23 HD12 ' A' ' 112' ' ' LEU . 14.4 p -64.66 -36.31 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 119.067 0.849 . . . . 0.0 113.101 -172.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -68.47 -15.06 63.41 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -118.38 -1.69 11.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.704 1.202 . . . . 0.0 114.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -103.56 -37.77 7.42 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.896 1.678 . . . . 0.0 112.595 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.804 HD12 HG23 ' A' ' 108' ' ' VAL . 24.3 mt -123.87 159.57 29.36 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.24 1.416 . . . . 0.0 110.666 -169.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.14 -143.64 39.82 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.935 -0.575 . . . . 0.0 114.031 -170.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.13 -10.26 59.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.568 1.147 . . . . 0.0 113.547 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 60.08 103.18 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 128.14 2.576 . . . . 0.0 113.057 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.4 153.14 43.55 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.755 0.822 . . . . 0.0 111.82 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 160.66 28.16 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 121.636 -0.665 . . . . 0.0 110.407 169.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.77 -48.18 70.01 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.8 mp0 -71.31 -29.79 65.46 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.917 -1.114 . . . . 0.0 112.467 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -69.84 -42.38 73.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.688 1.195 . . . . 0.0 111.537 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -75.61 -33.42 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.926 0.891 . . . . 0.0 111.981 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -63.95 -37.67 88.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.77 -1.206 . . . . 0.0 111.872 171.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -63.0 -25.02 68.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.813 0.845 . . . . 0.0 112.375 171.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.6 ttm -71.29 -53.56 13.84 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.097 0.862 . . . . 0.0 109.732 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.1 mm -58.05 -34.58 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.862 0.756 . . . . 0.0 111.284 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -48.84 -46.2 41.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.256 1.422 . . . . 0.0 113.03 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -43.62 12.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.43 0.634 . . . . 0.0 111.976 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.608 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -70.68 -35.6 72.89 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.445 1.898 . . . . 0.0 113.822 -168.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -76.53 67.22 2.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.556 1.542 . . . . 0.0 111.888 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.1 mt -61.72 -30.5 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.606 1.562 . . . . 0.0 111.812 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.27 -18.8 60.68 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.75 10.11 63.58 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.11 1.338 . . . . 0.0 114.861 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -121.83 30.58 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.879 2.072 . . . . 0.0 112.427 -171.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.03 28.63 71.45 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.017 -1.052 . . . . 0.0 113.579 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -126.44 90.42 3.17 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.804 1.642 . . . . 0.0 108.993 -175.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' A' ' 128' ' ' ALA . 22.5 t -64.06 121.06 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 121.851 -0.531 . . . . 0.0 109.719 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -95.02 88.03 5.11 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.885 0.85 . . . . 0.0 109.928 172.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 142' ' ' VAL . 3.9 p90 -59.13 -32.78 70.16 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.505 -174.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -60.05 -41.04 91.48 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.261 1.391 . . . . 0.0 112.178 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -78.82 -30.88 45.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.953 0.901 . . . . 0.0 112.482 171.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.52 -38.94 91.91 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.474 -0.766 . . . . 0.0 112.543 174.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 138' ' ' TYR . 3.1 t -59.38 -49.49 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.166 0.894 . . . . 0.0 109.635 172.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -64.7 -34.17 77.68 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.902 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.78 -48.34 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.401 1.48 . . . . 0.0 113.132 172.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.18 -37.99 87.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.588 1.086 . . . . 0.0 112.027 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.9 p -83.34 2.13 37.76 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.382 1.473 . . . . 0.0 114.709 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.8 153.0 43.08 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.178 -0.951 . . . . 0.0 112.876 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.854 1.662 . . . . 0.0 110.84 172.828 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 CA-C-O 119.897 -0.391 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.43 -11.93 20.7 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.758 2.972 . . . . 0.0 114.911 -174.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 74.21 8.39 79.2 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.407 1.003 . . . . 0.0 115.201 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 68.3 m -143.99 166.16 25.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.921 2.089 . . . . 0.0 111.161 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 64.7 pttt -65.46 -0.13 1.8 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -49.16 -38.42 25.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.096 1.758 . . . . 0.0 113.843 -174.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.99 -39.79 82.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.643 1.177 . . . . 0.0 112.972 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -84.51 -39.39 18.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.244 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.16 -46.2 79.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.144 1.377 . . . . 0.0 112.089 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.439 ' HA ' HD13 ' A' ' 112' ' ' LEU . 28.2 tt0 -66.87 -24.39 66.12 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.4 m -101.11 -30.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.752 1.221 . . . . 0.0 112.487 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 69.6 m -55.86 -39.92 72.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.493 1.117 . . . . 0.0 110.66 169.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.63 88.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.539 0.736 . . . . 0.0 110.255 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.04 -38.16 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.239 -0.913 . . . . 0.0 112.39 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.8 mt -58.78 -44.03 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.244 1.017 . . . . 0.0 110.669 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -70.76 -39.47 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.168 0.987 . . . . 0.0 110.896 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.38 -43.07 99.51 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.55 1.068 . . . . 0.0 111.588 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -60.46 -49.19 78.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.102 0.961 . . . . 0.0 111.323 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.9 75.06 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.37 0.668 . . . . 0.0 112.699 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 51.9 t80 -69.05 -52.11 31.95 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.25 -29.26 69.47 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.766 1.167 . . . . 0.0 111.67 175.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 40.6 tpt85 -62.68 -40.19 96.32 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.335 0.97 . . . . 0.0 111.83 169.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 60.3 t80 -70.42 -33.85 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.762 1.225 . . . . 0.0 113.227 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.89 -34.44 65.54 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.259 -0.901 . . . . 0.0 112.335 173.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.67 -21.72 62.57 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 90.3 mttt -83.43 -45.07 14.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.442 1.497 . . . . 0.0 111.882 175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -0.08 49.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -176.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 25.4 pttm -57.24 144.09 36.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.071 1.348 . . . . 0.0 114.189 -172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 7.2 p -66.45 148.85 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.885 1.274 . . . . 0.0 112.025 176.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -63.64 135.49 56.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.498 1.119 . . . . 0.0 111.356 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.427 1.891 . . . . 0.0 112.614 179.648 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -76.03 -10.69 59.62 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -68.85 130.61 43.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.071 -1.018 . . . . 0.0 111.311 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.11 132.71 34.67 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.993 0.425 . . . . 0.0 110.786 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -86.81 165.51 15.94 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.883 1.273 . . . . 0.0 110.33 169.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.96 -28.88 68.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.203 -0.936 . . . . 0.0 112.359 171.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.19 -42.42 65.87 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.022 0.929 . . . . 0.0 112.192 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -65.64 -38.73 90.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.546 -0.721 . . . . 0.0 112.024 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.2 mt -66.2 -39.62 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.812 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.59 88.37 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.649 1.113 . . . . 0.0 112.815 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.84 -47.22 81.64 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.228 -0.92 . . . . 0.0 111.684 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -67.29 -34.57 77.68 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.638 0.775 . . . . 0.0 111.786 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.07 -53.57 51.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.647 1.579 . . . . 0.0 110.491 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -64.44 -52.25 59.0 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.51 71.57 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -74.13 -50.89 17.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.693 0.797 . . . . 0.0 111.721 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -25.24 66.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.747 1.219 . . . . 0.0 112.635 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.59 -23.05 15.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.644 1.578 . . . . 0.0 114.018 171.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CD2' HG22 ' A' ' 35' ' ' VAL . 63.0 m-85 -117.92 0.26 11.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.855 1.662 . . . . 0.0 113.252 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -73.02 114.2 10.91 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.325 -0.86 . . . . 0.0 110.411 172.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.45 -11.94 50.41 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.75 -21.75 8.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.753 1.221 . . . . 0.0 114.093 -175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.08 7.39 88.57 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.547 1.07 . . . . 0.0 113.963 -170.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.89 -3.96 53.18 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.364 1.466 . . . . 0.0 114.06 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 33.32 20.44 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.562 1.077 . . . . 0.0 113.814 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -139.97 159.37 42.33 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.589 1.156 . . . . 0.0 113.579 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 pt -137.23 170.81 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 127.261 2.224 . . . . 0.0 110.954 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -83.0 159.57 22.18 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.169 0.985 . . . . 0.0 112.768 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.476 ' HB ' HD13 ' A' ' 52' ' ' ILE . 39.5 p -61.0 -25.47 66.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.411 1.085 . . . . 0.0 112.748 171.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.29 -42.58 65.35 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.679 1.192 . . . . 0.0 112.455 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.36 -16.74 61.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.69 1.196 . . . . 0.0 113.881 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -57.69 6.48 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.394 1.078 . . . . 0.0 111.391 178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.58 -26.5 70.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 121.497 -0.752 . . . . 0.0 113.238 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 m -74.53 -36.8 63.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.287 1.043 . . . . 0.0 111.874 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG22 ' CD2' ' A' ' 19' ' ' PHE . 43.6 t -63.27 -39.75 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 123.467 0.707 . . . . 0.0 110.239 169.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.7 mtp -65.38 -39.21 91.98 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.867 -1.146 . . . . 0.0 112.618 172.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -61.57 -35.94 79.22 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.228 0.922 . . . . 0.0 112.325 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -63.41 -36.39 83.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.52 0.728 . . . . 0.0 111.964 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.24 27.84 0.47 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.149 1.779 . . . . 0.0 113.88 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.56 15.63 73.31 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 117.362 1.705 . . . . 0.0 117.362 168.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -140.16 132.86 28.93 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.572 1.686 . . . . 0.0 112.432 -175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -112.23 86.23 7.7 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.565 1.146 . . . . 0.0 111.784 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.62 154.61 72.96 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.775 2.983 . . . . 0.0 112.565 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.2 p -74.88 163.09 28.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.873 0.869 . . . . 0.0 111.755 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.32 -35.98 76.86 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.127 -0.983 . . . . 0.0 112.189 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.23 74.98 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.874 0.87 . . . . 0.0 112.252 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.25 -41.12 97.12 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 0.0 111.553 175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.4 mt -61.6 -47.59 84.77 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.292 0.637 . . . . 0.0 111.707 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.54 -40.88 88.63 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.128 0.877 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.57 -37.62 88.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.063 0.945 . . . . 0.0 112.989 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.8 mtm -73.87 -40.0 63.53 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.9 0.773 . . . . 0.0 112.54 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.476 HD13 ' HB ' ' A' ' 29' ' ' THR . 49.6 mt -65.25 -28.83 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.142 0.977 . . . . 0.0 111.506 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -57.79 -30.37 65.62 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.9 1.227 . . . . 0.0 113.599 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.88 -17.92 49.02 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 174.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.62 -42.5 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.102 1.761 . . . . 0.0 113.049 -169.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -122.37 48.67 1.71 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.148 1.779 . . . . 0.0 112.222 -172.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.36 -24.1 64.81 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.214 -0.929 . . . . 0.0 113.161 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.83 -13.67 59.82 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.986 1.314 . . . . 0.0 113.937 174.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.04 30.95 69.55 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.675 1.131 . . . . 0.0 115.05 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -76.65 -17.98 58.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.608 1.204 . . . . 0.0 113.536 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.58 18.39 73.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.579 1.561 . . . . 0.0 114.556 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.8 p -134.14 160.06 38.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.991 1.317 . . . . 0.0 113.904 -174.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.8 mt -141.93 136.4 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.072 2.149 . . . . 0.0 109.192 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.73 157.1 17.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.52 0.728 . . . . 0.0 111.409 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -45.1 -55.86 10.36 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.84 -23.32 26.01 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.711 1.607 . . . . 0.0 113.573 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.0 -30.02 61.04 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.557 -0.715 . . . . 0.0 111.916 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -67.32 -41.75 84.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.856 0.862 . . . . 0.0 112.408 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.67 -21.1 65.47 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 t -59.76 -38.03 80.65 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.707 0.685 . . . . 0.0 112.65 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -83.7 -29.65 27.38 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.437 -0.789 . . . . 0.0 112.536 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mmm -61.12 -38.39 86.19 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.138 0.575 . . . . 0.0 110.969 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.38 77.19 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.13 -42.46 80.16 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.011 -1.056 . . . . 0.0 111.892 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -62.54 -28.11 69.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.952 0.901 . . . . 0.0 112.902 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mtp -80.5 -6.03 57.55 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.721 1.608 . . . . 0.0 114.746 173.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -77.75 39.87 0.29 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.318 1.447 . . . . 0.0 114.749 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.31 120.42 10.37 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.996 -1.065 . . . . 0.0 110.106 169.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.3 m -142.59 136.39 29.16 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.857 1.263 . . . . 0.0 111.096 -169.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -90.48 121.52 32.51 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.153 0.981 . . . . 0.0 111.122 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.7 t -73.7 131.07 41.22 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.938 0.895 . . . . 0.0 112.676 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -58.98 -42.18 89.36 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.444 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -75.88 -29.31 58.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.321 -0.862 . . . . 0.0 112.377 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -67.91 -44.49 76.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.665 -0.647 . . . . 0.0 111.492 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -58.29 -47.08 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.867 0.867 . . . . 0.0 110.165 174.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -55.97 -49.06 74.61 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -69.0 -38.95 79.57 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.152 0.887 . . . . 0.0 112.275 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.06 -25.34 66.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.6 1.16 . . . . 0.0 113.532 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.1 -42.85 36.42 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.236 -0.915 . . . . 0.0 110.989 168.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -61.15 -28.88 69.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.478 1.111 . . . . 0.0 113.753 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.5 -19.93 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 170.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -96.66 -16.16 21.11 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.212 1.405 . . . . 0.0 113.592 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -59.43 135.37 57.64 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.225 1.41 . . . . 0.0 111.497 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.43 -35.35 75.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.456 1.502 . . . . 0.0 113.701 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -150.64 9.17 0.6 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 26.44 66.11 Favored Glycine 0 CA--C 1.54 1.616 0 O-C-N 120.792 -1.193 . . . . 0.0 112.253 -168.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -83.39 -3.24 57.35 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.083 1.753 . . . . 0.0 114.004 -173.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.2 19.65 56.78 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.503 1.525 . . . . 0.0 114.096 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 166.31 31.09 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.921 1.288 . . . . 0.0 111.485 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.67 136.46 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.623 1.569 . . . . 0.0 109.396 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.7 m -66.65 142.94 57.27 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.646 -1.284 . . . . 0.0 111.912 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.92 90.09 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.245 -0.909 . . . . 0.0 112.802 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.63 -31.38 72.02 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -73.04 -44.29 60.95 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.76 0.824 . . . . 0.0 111.776 176.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HA ' HG22 ' A' ' 108' ' ' VAL . 11.4 tp -69.07 -37.52 78.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.829 0.741 . . . . 0.0 111.324 174.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -61.65 -38.51 87.98 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.889 -1.132 . . . . 0.0 111.722 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -60.9 -61.11 2.82 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.352 171.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 105' ' ' LEU . 2.9 m -58.19 -39.4 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 120.983 1.719 . . . . 0.0 112.732 -175.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -75.29 -13.85 60.46 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.9 p -119.9 -4.05 10.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.063 1.345 . . . . 0.0 114.219 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.43 -23.63 15.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.091 1.756 . . . . 0.0 113.083 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mt -131.94 169.38 16.38 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.565 1.546 . . . . 0.0 111.018 -169.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.25 -139.44 40.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 121.885 0.714 . . . . 0.0 114.322 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -78.14 -7.14 56.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.195 1.398 . . . . 0.0 112.8 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt 53.91 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.936 2.894 . . . . 0.0 113.311 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.62 152.7 29.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.323 1.049 . . . . 0.0 112.727 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -69.01 161.08 29.74 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.405 1.082 . . . . 0.0 111.03 173.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -56.29 -48.79 75.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.018 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.81 -32.02 68.97 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.271 -0.893 . . . . 0.0 112.469 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.13 -43.92 73.4 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.404 1.482 . . . . 0.0 111.931 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -73.87 -32.66 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 123.503 0.721 . . . . 0.0 111.874 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.13 -36.39 74.75 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.878 -1.139 . . . . 0.0 111.622 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.82 -30.33 65.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.877 0.871 . . . . 0.0 112.114 172.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -66.41 -56.39 11.27 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.931 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.3 mm -57.02 -37.94 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.782 1.174 . . . . 0.0 112.136 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -55.75 -23.75 31.24 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.395 1.478 . . . . 0.0 114.551 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -123.2 -27.09 4.21 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.912 1.285 . . . . 0.0 114.088 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.469 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -67.96 -33.7 75.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.519 1.928 . . . . 0.0 112.062 172.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.94 116.95 34.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.596 1.158 . . . . 0.0 109.578 167.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.3 -29.26 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.903 1.281 . . . . 0.0 112.12 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -98.16 -27.83 14.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.75 1.22 . . . . 0.0 113.624 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.08 11.83 81.87 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.243 1.401 . . . . 0.0 114.657 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -78.42 -3.55 43.88 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.203 1.401 . . . . 0.0 114.26 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.44 26.16 10.29 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.219 1.866 . . . . 0.0 114.014 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -129.33 97.65 4.64 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.359 1.464 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.469 HG13 ' HB1' ' A' ' 128' ' ' ALA . 14.9 t -66.08 129.26 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.67 -0.643 . . . . 0.0 109.606 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.86 92.09 4.66 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.104 0.954 . . . . 0.0 110.32 171.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -62.68 -24.09 67.46 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.395 -172.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -64.3 -33.97 77.05 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.466 1.03 . . . . 0.0 113.381 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -77.68 -39.73 43.91 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.44 -0.788 . . . . 0.0 110.806 169.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.88 -44.62 80.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.72 0.808 . . . . 0.0 113.067 -175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.33 -41.75 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.199 0.999 . . . . 0.0 111.702 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -64.02 -45.02 90.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.375 1.07 . . . . 0.0 112.428 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.6 ttp -64.69 -45.41 86.78 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.561 0.745 . . . . 0.0 112.378 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.8 ttp -66.53 -39.34 88.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.452 1.501 . . . . 0.0 111.924 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 81.8 p -86.46 -2.11 58.16 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.98 152.86 22.69 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.67 1.123 . . . . 0.0 113.93 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.214 1.406 . . . . 0.0 112.264 175.655 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 CA-C-O 119.633 -0.537 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.58 150.87 79.47 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 124.141 3.227 . . . . 0.0 114.13 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -170.24 130.44 2.02 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.27 0.938 . . . . 0.0 113.245 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 35.6 t -159.78 167.53 28.01 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.857 2.063 . . . . 0.0 109.822 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -51.6 -41.92 61.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.685 1.194 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -56.25 -32.84 64.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.174 1.39 . . . . 0.0 113.493 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 81.9 tttt -63.47 -40.36 96.91 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.049 1.34 . . . . 0.0 112.452 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -83.4 -40.58 19.17 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.922 0.889 . . . . 0.0 112.102 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.31 -47.93 77.7 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.45 1.5 . . . . 0.0 111.81 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.23 -29.35 70.45 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.7 m -93.31 -32.56 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 61.2 m -59.3 -41.03 88.01 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.728 1.211 . . . . 0.0 111.028 172.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -54.92 -44.63 74.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.76 -0.588 . . . . 0.0 110.942 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -60.77 -36.09 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.887 0.875 . . . . 0.0 112.134 -172.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.5 mt -58.71 -42.01 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 111.032 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.81 -40.13 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.396 1.078 . . . . 0.0 110.581 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -62.87 -42.33 99.72 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.293 1.406 . . . . 0.0 112.281 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -56.4 -55.64 31.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.692 1.197 . . . . 0.0 110.734 172.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.89 78.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.898 0.879 . . . . 0.0 112.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.85 -50.81 63.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.28 0.632 . . . . 0.0 111.934 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -63.26 -34.17 77.08 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.592 -0.692 . . . . 0.0 112.153 173.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -56.28 -45.91 79.95 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.046 0.938 . . . . 0.0 110.495 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -66.48 -40.87 89.54 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.782 0.833 . . . . 0.0 112.778 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.04 -37.03 76.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 112.414 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.35 -46.86 59.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.0 0.92 . . . . 0.0 111.779 171.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.97 -33.02 66.64 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.996 1.718 . . . . 0.0 113.385 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -58.27 -11.62 2.89 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.44 -35.17 80.06 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.945 1.248 . . . . 0.0 112.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 48.2 t -74.28 142.34 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.668 1.587 . . . . 0.0 110.46 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -119.97 156.73 30.28 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.584 1.554 . . . . 0.0 111.484 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.992 1.717 . . . . 0.0 111.544 -174.161 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.516 0.198 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -74.43 74.7 1.92 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 111.505 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -140.93 154.49 46.12 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.349 1.86 . . . . 0.0 111.53 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.76 149.62 28.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 112.302 174.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.6 p -73.84 161.0 30.64 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 0.0 111.06 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -60.29 -33.03 71.77 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.872 -1.142 . . . . 0.0 112.497 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.47 -43.79 76.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.12 0.968 . . . . 0.0 112.225 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -62.23 -44.64 96.12 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.332 0.653 . . . . 0.0 111.218 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.18 -44.36 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 110.64 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.8 81.71 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.687 0.795 . . . . 0.0 113.092 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -66.15 -46.59 76.95 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.262 -0.899 . . . . 0.0 112.004 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.5 -33.38 75.8 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.63 0.772 . . . . 0.0 112.316 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -52.91 -51.41 61.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.746 1.618 . . . . 0.0 110.997 175.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.44 -50.82 57.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.839 0.856 . . . . 0.0 111.643 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -29.79 70.99 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.14 -50.99 16.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.153 0.981 . . . . 0.0 111.541 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -59.79 -26.38 65.69 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.559 1.143 . . . . 0.0 112.686 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.97 -22.14 14.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.699 1.6 . . . . 0.0 114.108 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 35' ' ' VAL . 53.8 m-85 -121.1 4.58 10.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.905 1.682 . . . . 0.0 113.179 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -71.56 111.62 7.01 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.308 173.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -74.17 -19.11 60.66 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -120.75 -21.38 6.67 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -170.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.72 9.08 85.09 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.85 1.214 . . . . 0.0 113.956 -170.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -83.16 -2.82 56.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.345 1.458 . . . . 0.0 114.243 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.28 32.25 26.05 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.579 1.085 . . . . 0.0 113.679 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -138.75 159.09 42.95 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.206 1.402 . . . . 0.0 112.613 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -131.64 169.82 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.534 1.934 . . . . 0.0 110.39 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.8 p -82.35 157.88 23.59 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 112.049 169.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 p -60.7 -27.51 67.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.945 0.898 . . . . 0.0 112.53 170.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.47 -43.41 77.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.53 1.132 . . . . 0.0 112.663 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -80.8 -6.64 58.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -55.69 17.42 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.772 1.169 . . . . 0.0 111.112 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.27 72.98 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.23 -0.919 . . . . 0.0 113.204 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -67.38 -41.64 84.7 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.329 1.065 . . . . 0.0 111.488 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 19' ' ' PHE . 51.9 t -64.31 -40.91 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 110.874 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.1 mtp -64.1 -37.55 87.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.936 -1.103 . . . . 0.0 112.649 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -67.2 -34.08 76.75 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.234 1.014 . . . . 0.0 113.162 173.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.1 t -62.89 -35.86 81.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.356 0.663 . . . . 0.0 111.769 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.73 20.99 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.904 1.681 . . . . 0.0 114.257 170.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.49 2.21 63.09 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.045 1.307 . . . . 0.0 116.131 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.54 179.53 7.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.539 1.169 . . . . 0.0 110.447 172.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -159.76 77.05 2.89 Favored Pre-proline 0 CA--C 1.549 0.939 0 O-C-N 121.087 -1.008 . . . . 0.0 110.045 166.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -68.22 154.99 70.99 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.122 3.214 . . . . 0.0 112.522 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.5 p -77.74 161.74 27.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.908 0.883 . . . . 0.0 111.956 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -57.35 -42.47 82.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.293 -0.879 . . . . 0.0 111.477 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.97 99.52 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.13 0.572 . . . . 0.0 112.298 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.5 -45.2 72.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.277 0.631 . . . . 0.0 112.212 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.65 -46.82 86.32 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.291 0.636 . . . . 0.0 111.467 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -63.13 -37.85 88.83 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.896 0.878 . . . . 0.0 112.177 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.55 -40.34 89.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.503 -0.748 . . . . 0.0 112.746 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.1 mtm -68.2 -41.79 80.83 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.21 -0.931 . . . . 0.0 111.925 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.98 -29.73 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.085 0.954 . . . . 0.0 111.836 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.0 -31.13 69.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 120.048 1.295 . . . . 0.0 112.817 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -85.1 -47.8 9.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.603 171.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -67.94 -39.67 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.643 1.177 . . . . 0.0 113.577 -175.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -116.27 45.17 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.166 1.786 . . . . 0.0 112.283 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -26.13 63.53 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -85.79 -5.46 59.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.914 1.285 . . . . 0.0 114.337 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.09 40.3 56.76 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.497 1.046 . . . . 0.0 115.3 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -76.44 -22.98 53.95 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.113 1.365 . . . . 0.0 113.215 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 16.92 78.11 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.743 1.64 . . . . 0.0 114.445 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.3 p -138.1 159.46 41.98 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.321 1.448 . . . . 0.0 113.596 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.8 mt -139.86 136.02 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 127.133 2.173 . . . . 0.0 108.78 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.03 156.77 18.65 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.784 0.72 . . . . 0.0 111.374 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -46.47 -54.05 20.72 Favored Pre-proline 0 CA--C 1.548 0.879 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.53 -23.28 27.47 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.808 1.672 . . . . 0.0 113.46 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.43 -37.15 63.4 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.51 -0.744 . . . . 0.0 111.478 174.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.25 -41.49 98.49 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.489 -0.757 . . . . 0.0 111.99 171.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.71 -19.13 64.7 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.07 -36.54 79.9 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.556 1.071 . . . . 0.0 112.755 178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -83.83 -34.51 24.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.736 -0.602 . . . . 0.0 112.202 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.56 -36.71 83.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.961 0.504 . . . . 0.0 111.115 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.87 -42.6 72.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.635 0.774 . . . . 0.0 112.647 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -80.83 -39.52 26.46 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.072 0.949 . . . . 0.0 112.967 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -57.7 -37.95 74.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.315 1.046 . . . . 0.0 112.273 171.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.8 mmm -73.95 -21.85 59.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.296 . . . . 0.0 113.701 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.0 42.61 0.56 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.374 1.869 . . . . 0.0 112.957 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -62.45 114.16 3.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.744 2.018 . . . . 0.0 113.065 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 m -158.03 133.15 8.66 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.561 1.944 . . . . 0.0 110.175 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.59 31.15 0.41 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.917 1.687 . . . . 0.0 115.317 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 m 58.36 78.21 0.26 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.073 1.749 . . . . 0.0 113.282 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -54.7 -43.12 72.24 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.903 1.681 . . . . 0.0 114.269 -173.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.36 -33.95 75.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.469 0.708 . . . . 0.0 112.198 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -68.11 -44.26 76.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.53 -0.731 . . . . 0.0 111.294 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.2 mt -59.31 -47.28 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.842 0.857 . . . . 0.0 110.275 174.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -56.87 -47.85 79.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.272 0.629 . . . . 0.0 112.574 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -70.81 -38.66 73.33 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.186 0.903 . . . . 0.0 112.547 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.51 68.58 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.856 1.262 . . . . 0.0 113.13 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.15 -42.56 31.36 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.161 -0.962 . . . . 0.0 111.39 168.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -61.78 -28.48 69.48 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.316 -0.865 . . . . 0.0 113.208 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.2 m -67.57 -23.59 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -92.35 -23.07 19.35 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.174 1.39 . . . . 0.0 113.317 174.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -68.79 71.21 0.21 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.992 1.317 . . . . 0.0 109.484 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -62.02 -19.74 63.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.761 1.624 . . . . 0.0 114.027 -170.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -97.91 -14.36 20.7 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 114.218 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.35 36.96 63.09 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.382 1.468 . . . . 0.0 114.974 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -100.98 4.21 42.28 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -174.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.42 19.29 69.23 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 120.892 -1.13 . . . . 0.0 114.303 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -155.4 166.01 34.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.553 1.941 . . . . 0.0 109.571 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -121.48 150.81 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.264 1.425 . . . . 0.0 108.904 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -77.42 142.79 39.05 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.377 -1.452 . . . . 0.0 111.122 172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.38 79.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.974 -1.079 . . . . 0.0 112.804 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.5 72.36 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -73.76 -44.65 55.53 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.643 0.777 . . . . 0.0 111.814 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.437 ' HA ' HG22 ' A' ' 108' ' ' VAL . 8.0 tp -69.51 -36.75 76.75 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.493 1.042 . . . . 0.0 111.096 175.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -62.71 -37.23 85.7 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.75 1.159 . . . . 0.0 111.898 169.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -60.63 -63.91 1.14 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.007 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 105' ' ' LEU . 2.8 m -57.78 -38.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 121.265 1.848 . . . . 0.0 113.119 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.3 mmt -76.07 -12.73 60.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.3 p -124.79 -6.58 7.38 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.689 1.195 . . . . 0.0 114.09 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -92.7 -24.64 18.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 112.777 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 mt -133.68 164.71 26.61 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.481 1.912 . . . . 0.0 109.917 -169.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.64 -153.75 51.07 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 173.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -78.97 51.19 1.1 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.531 1.932 . . . . 0.0 111.483 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -13.53 111.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.083 3.753 . . . . 0.0 114.81 -169.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.41 146.46 39.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.6 m -66.88 158.56 30.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.472 0.709 . . . . 0.0 110.087 171.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -52.48 -45.34 66.11 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.583 1.153 . . . . 0.0 113.556 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.09 -28.88 60.46 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.496 -0.753 . . . . 0.0 112.735 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.69 -43.8 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.268 1.427 . . . . 0.0 111.604 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.43 -34.76 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 123.081 0.552 . . . . 0.0 111.194 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.16 -39.22 92.66 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.413 -0.805 . . . . 0.0 112.456 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -57.64 -44.44 85.62 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.941 0.896 . . . . 0.0 110.571 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.0 ttm -59.33 -47.01 87.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.152 0.981 . . . . 0.0 111.766 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.71 -47.43 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.606 1.094 . . . . 0.0 110.308 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -58.76 -26.65 64.2 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -107.71 -19.52 13.51 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.93 -28.85 21.25 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -77.33 67.16 3.23 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.55 1.54 . . . . 0.0 111.337 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.1 pt -63.57 -20.86 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.177 0.991 . . . . 0.0 113.484 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -81.72 -15.73 53.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.51 1.124 . . . . 0.0 113.584 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.85 31.57 80.85 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.523 1.059 . . . . 0.0 113.313 -175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -137.38 23.71 2.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.465 1.506 . . . . 0.0 113.358 -169.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.56 23.24 75.83 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.713 -1.242 . . . . 0.0 114.374 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -123.09 89.29 3.08 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.347 1.459 . . . . 0.0 109.506 -173.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.06 107.92 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 124.322 1.049 . . . . 0.0 111.192 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -83.28 93.15 7.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.838 0.828 . . . . 0.0 110.395 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -64.84 -26.77 68.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.939 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.71 -34.49 73.96 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.738 1.154 . . . . 0.0 112.7 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -75.35 -39.71 58.99 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.276 -0.89 . . . . 0.0 110.596 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.51 -40.83 96.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.29 1.036 . . . . 0.0 113.423 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.02 -42.86 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 119.032 0.833 . . . . 0.0 111.484 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.62 -40.25 96.43 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.795 0.838 . . . . 0.0 112.06 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 31.9 ttp -65.9 -45.9 80.27 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.448 0.699 . . . . 0.0 112.434 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.5 mtm -67.77 -42.24 82.01 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 48.5 p -75.75 -12.14 60.13 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.35 121.26 13.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.264 0.938 . . . . 0.0 110.726 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.249 1.067 0 C-N-CA 125.29 1.436 . . . . 0.0 112.333 -175.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.11 159.36 30.5 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 124.085 3.19 . . . . 0.0 114.424 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -66.34 -21.65 70.51 Favored Glycine 0 CA--C 1.539 1.555 0 N-CA-C 115.421 0.928 . . . . 0.0 115.421 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.5 m -67.22 130.92 44.63 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.509 1.154 . . . . 0.0 113.061 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -78.6 106.82 10.83 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.849 1.26 . . . . 0.0 109.75 169.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -54.14 -33.07 56.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -171.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.12 -36.78 77.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.061 0.944 . . . . 0.0 112.948 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -80.49 -33.05 36.83 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.919 1.287 . . . . 0.0 112.129 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -54.95 -48.66 72.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.381 1.472 . . . . 0.0 112.094 -176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.66 -26.95 66.46 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.6 m -94.4 -32.25 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.177 0.991 . . . . 0.0 111.848 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.6 m -58.07 -40.29 80.65 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.848 1.259 . . . . 0.0 111.401 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.98 77.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.761 0.425 . . . . 0.0 110.459 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.4 -37.24 77.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.474 0.709 . . . . 0.0 112.162 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -58.14 -43.48 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 110.731 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.78 -41.36 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.061 0.944 . . . . 0.0 111.002 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.99 -43.63 98.56 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.662 1.119 . . . . 0.0 112.526 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -69.02 -41.16 78.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.504 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.72 81.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.153 0.581 . . . . 0.0 112.173 169.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 53.4 t80 -69.91 -48.26 59.27 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.81 -31.7 72.75 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.011 -1.055 . . . . 0.0 112.041 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 46.1 tpt85 -63.96 -37.16 86.38 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.144 0.883 . . . . 0.0 112.069 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.0 t80 -71.22 -37.07 72.06 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.49 -34.44 58.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.371 -0.831 . . . . 0.0 112.554 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.44 -37.22 72.47 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.815 0.846 . . . . 0.0 112.499 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -68.35 -31.17 70.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.759 1.224 . . . . 0.0 112.342 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -76.94 -36.2 56.72 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.475 0.71 . . . . 0.0 112.228 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -71.64 -40.11 69.94 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.352 1.461 . . . . 0.0 113.661 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 49.2 t -62.73 133.57 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.063 0.945 . . . . 0.0 110.946 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 24.2 tptp -61.35 135.26 57.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.603 -174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.958 1.703 . . . . 0.0 111.533 172.703 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.662 0.267 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -86.71 -8.69 57.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.014 1.326 . . . . 0.0 114.296 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -61.88 149.02 41.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.101 -0.999 . . . . 0.0 113.679 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.99 144.56 25.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 p -82.97 160.63 21.98 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.004 1.322 . . . . 0.0 110.44 167.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -59.02 -30.28 67.89 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.287 -0.883 . . . . 0.0 112.891 172.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -71.26 -44.86 64.46 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.099 0.96 . . . . 0.0 111.901 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -62.35 -42.48 99.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.483 0.713 . . . . 0.0 111.04 173.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.0 mt -62.63 -43.59 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 118.509 -0.757 . . . . 0.0 111.044 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.61 76.64 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.666 1.121 . . . . 0.0 113.026 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.07 -45.34 85.71 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.79 -1.194 . . . . 0.0 111.576 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -68.1 -32.78 73.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 112.197 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -57.95 -50.24 74.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.803 1.641 . . . . 0.0 111.234 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -64.02 -49.79 71.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.199 0.599 . . . . 0.0 111.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.35 75.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -73.26 -48.2 36.76 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.308 0.958 . . . . 0.0 112.042 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -59.75 -25.25 64.71 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.333 1.053 . . . . 0.0 112.565 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.08 -20.79 10.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.773 1.629 . . . . 0.0 114.661 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 35' ' ' VAL . 26.7 m-85 -129.78 6.71 5.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.419 1.488 . . . . 0.0 112.983 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -67.57 130.38 42.84 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.157 0.983 . . . . 0.0 110.308 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -58.68 -35.07 72.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.342 1.857 . . . . 0.0 115.006 -172.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -158.25 9.94 0.16 Allowed 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.14 23.57 48.04 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 112.614 -168.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -81.02 -8.69 59.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.424 1.49 . . . . 0.0 113.766 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.75 59.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.9 1.238 . . . . 0.0 113.913 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.4 p -141.96 148.93 39.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.621 1.211 . . . . 0.0 113.5 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 pt -120.64 172.41 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.239 2.216 . . . . 0.0 110.524 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -85.56 157.86 20.28 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.24 1.019 . . . . 0.0 112.248 169.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.444 ' HB ' HD13 ' A' ' 52' ' ' ILE . 25.6 p -61.39 -29.77 70.13 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.119 0.968 . . . . 0.0 112.466 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -74.33 -35.0 63.61 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.29 -18.7 57.32 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.97 -1.014 . . . . 0.0 113.258 174.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.6 -60.13 2.14 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.032 1.333 . . . . 0.0 111.656 -178.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.9 -26.07 68.49 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.923 -0.376 . . . . 0.0 113.501 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 m -73.76 -36.86 65.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.261 1.031 . . . . 0.0 111.574 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.326 2.0 m -71.17 -30.67 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 121.631 -0.668 . . . . 0.0 111.594 170.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.2 mtp -65.78 -39.28 90.84 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.034 -1.041 . . . . 0.0 112.082 168.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -60.31 -38.77 84.73 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.157 0.983 . . . . 0.0 111.992 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -63.0 -29.97 71.24 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.626 0.77 . . . . 0.0 112.813 171.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.37 23.29 3.0 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.401 1.88 . . . . 0.0 113.992 172.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.38 27.63 65.38 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 168.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.27 139.02 22.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.096 1.448 . . . . 0.0 112.352 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -109.89 88.17 6.48 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 123.861 0.864 . . . . 0.0 110.869 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -66.4 152.53 80.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.489 2.792 . . . . 0.0 112.09 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.3 p -73.19 161.07 30.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.443 0.639 . . . . 0.0 111.691 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -60.01 -37.39 79.6 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.229 -0.92 . . . . 0.0 111.796 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.95 79.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.017 0.927 . . . . 0.0 112.568 175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -65.36 -44.42 87.71 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.7 0.8 . . . . 0.0 111.719 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.65 -46.7 89.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.351 0.66 . . . . 0.0 111.42 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.29 -41.05 88.06 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.618 0.767 . . . . 0.0 112.278 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.45 -42.86 95.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.772 0.829 . . . . 0.0 112.352 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.0 mtm -66.99 -42.28 85.3 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.471 -0.768 . . . . 0.0 112.072 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.444 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.2 mt -67.84 -29.29 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.778 0.831 . . . . 0.0 111.714 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -62.62 -27.91 69.53 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 120.1 1.318 . . . . 0.0 113.024 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.3 -45.59 11.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.793 0.837 . . . . 0.0 112.459 171.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 t -71.17 -39.67 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.23 1.412 . . . . 0.0 113.473 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -116.58 48.32 1.3 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.124 1.77 . . . . 0.0 112.204 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -25.97 62.94 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -92.24 0.05 57.44 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.942 1.297 . . . . 0.0 114.221 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.15 41.15 70.68 Favored Glycine 0 CA--C 1.538 1.473 0 O-C-N 120.786 -1.196 . . . . 0.0 115.512 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -76.29 -22.77 54.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.144 1.378 . . . . 0.0 113.262 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.47 17.88 78.06 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.837 1.685 . . . . 0.0 114.374 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.1 p -139.58 160.52 39.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.125 1.37 . . . . 0.0 113.553 -173.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.29 135.81 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.613 1.965 . . . . 0.0 108.764 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.82 156.57 20.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.917 0.887 . . . . 0.0 112.434 171.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -46.54 -56.01 12.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.17 -22.23 30.49 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.783 1.656 . . . . 0.0 113.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -72.61 -38.67 67.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.835 0.743 . . . . 0.0 111.41 173.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -62.43 -40.42 96.52 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.381 -0.824 . . . . 0.0 112.244 173.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.81 -19.02 63.65 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -34.53 77.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.109 0.868 . . . . 0.0 112.96 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -83.92 -37.65 22.06 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.426 -0.796 . . . . 0.0 111.292 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.4 mmm -63.54 -21.26 66.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.74 75.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.994 0.918 . . . . 0.0 112.796 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.38 -35.94 8.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.497 1.519 . . . . 0.0 113.329 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.53 10.43 3.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.871 2.468 . . . . 0.0 113.857 172.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 ttm -58.78 116.29 3.65 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -168.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.35 45.1 1.15 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.814 1.646 . . . . 0.0 111.46 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.38 -19.55 35.84 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 48.2 p -64.28 145.81 55.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.055 0.942 . . . . 0.0 112.429 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.91 134.33 56.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.581 1.152 . . . . 0.0 112.331 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.0 m -64.69 128.43 35.74 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.794 1.238 . . . . 0.0 114.315 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.18 -46.38 90.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 112.781 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.4 -32.94 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.952 0.901 . . . . 0.0 112.144 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -68.68 -46.8 68.11 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.615 0.766 . . . . 0.0 111.043 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.28 -46.87 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.12 0.968 . . . . 0.0 110.217 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -60.11 -43.59 95.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -72.16 -40.43 67.99 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.522 -0.736 . . . . 0.0 112.917 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -26.84 68.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.824 1.25 . . . . 0.0 112.957 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -76.07 -43.21 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.987 -1.071 . . . . 0.0 111.637 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.1 ttp85 -58.44 -31.56 67.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.963 0.905 . . . . 0.0 113.346 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 m -68.53 -15.85 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 172.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.4 m-85 -98.71 -11.98 21.44 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.169 1.387 . . . . 0.0 113.694 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -60.78 116.84 4.73 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.291 0.951 . . . . 0.0 110.631 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -80.14 -18.54 49.49 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.091 1.357 . . . . 0.0 114.014 -169.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -122.46 -15.15 7.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.169 1.387 . . . . 0.0 114.349 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.7 20.0 74.73 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.906 1.241 . . . . 0.0 113.655 -171.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -99.3 3.79 46.24 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.775 1.63 . . . . 0.0 114.83 -170.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.64 26.22 47.22 Favored Glycine 0 CA--C 1.535 1.308 0 O-C-N 121.032 -1.042 . . . . 0.0 113.976 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.19 168.61 23.49 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.045 1.738 . . . . 0.0 109.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -127.67 138.02 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.917 1.287 . . . . 0.0 109.208 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -66.77 140.32 57.84 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.898 -1.126 . . . . 0.0 110.734 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.81 87.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.902 -1.124 . . . . 0.0 112.817 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.54 70.81 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.694 0.797 . . . . 0.0 112.91 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -75.24 -42.71 54.68 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.878 0.871 . . . . 0.0 111.872 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.8 -40.64 83.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.618 0.645 . . . . 0.0 110.461 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -59.62 -40.39 87.41 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.036 0.835 . . . . 0.0 112.081 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -57.46 -62.62 1.65 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.967 0.803 . . . . 0.0 110.622 172.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.683 HG23 HD12 ' A' ' 112' ' ' LEU . 14.5 p -65.61 -35.33 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 119.085 0.857 . . . . 0.0 112.884 -171.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mmt -69.17 -14.68 63.12 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.2 p -118.5 -3.23 10.93 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -99.13 -44.35 6.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.109 1.763 . . . . 0.0 112.223 172.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.683 HD12 HG23 ' A' ' 108' ' ' VAL . 18.1 mt -122.23 140.12 52.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 112.048 -167.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.33 -146.73 32.06 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 114.636 0.614 . . . . 0.0 114.636 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.97 23.2 0.14 Allowed 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -170.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? 24.91 100.55 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.424 3.49 . . . . 0.0 115.159 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.43 144.27 47.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.659 0.784 . . . . 0.0 111.288 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.78 160.65 27.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.739 0.816 . . . . 0.0 110.072 171.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -56.13 -45.13 79.67 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.757 -1.214 . . . . 0.0 113.553 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -72.61 -25.68 61.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.145 -0.972 . . . . 0.0 112.786 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.08 -42.03 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.734 1.614 . . . . 0.0 111.863 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.98 -34.47 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.653 0.781 . . . . 0.0 110.869 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -65.12 -42.77 93.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.375 0.67 . . . . 0.0 111.592 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -56.07 -42.84 77.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.462 0.705 . . . . 0.0 111.227 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.05 -50.38 71.12 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.025 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.2 mm -61.13 -34.04 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 120.503 1.501 . . . . 0.0 111.608 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -57.45 -34.68 69.24 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.425 1.466 . . . . 0.0 113.485 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.11 -19.76 12.93 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.514 1.526 . . . . 0.0 113.912 -174.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -82.8 -33.71 27.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.411 1.885 . . . . 0.0 112.926 173.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.31 136.81 48.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.627 1.171 . . . . 0.0 112.84 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.5 pt -64.58 -31.22 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.858 1.263 . . . . 0.0 114.125 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -155.89 4.06 0.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.91 22.37 63.88 Favored Glycine 0 CA--C 1.54 1.625 0 O-C-N 120.888 -1.132 . . . . 0.0 112.486 -168.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -98.84 11.74 37.83 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.081 1.752 . . . . 0.0 113.471 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.72 20.24 71.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.674 1.607 . . . . 0.0 114.481 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.93 100.68 6.71 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.257 1.423 . . . . 0.0 110.319 -177.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.632 HG13 ' HB1' ' A' ' 128' ' ' ALA . 20.1 t -78.04 124.4 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.323 0.649 . . . . 0.0 110.603 173.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -93.33 98.27 11.14 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 122.173 0.987 . . . . 0.0 110.496 169.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -68.71 -26.27 65.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.728 -1.124 . . . . 0.0 113.491 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.04 -30.22 64.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.88 1.218 . . . . 0.0 112.066 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -75.11 -42.18 56.99 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 167.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.25 -44.37 95.35 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.605 1.162 . . . . 0.0 113.467 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.08 -47.93 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.863 0.865 . . . . 0.0 111.271 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -63.49 -34.65 78.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.488 0.715 . . . . 0.0 112.396 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.8 ttp -68.76 -45.69 70.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.423 0.689 . . . . 0.0 112.446 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.98 -40.22 94.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.066 0.848 . . . . 0.0 112.344 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 64.2 p -80.44 -3.7 50.85 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.17 144.67 53.24 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.141 1.376 . . . . 0.0 113.124 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.5 pttm . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.602 1.961 . . . . 0.0 112.038 -175.809 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 CA-C-O 118.758 -1.023 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -65.89 147.5 85.13 Favored 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 123.474 2.783 . . . . 0.0 112.681 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 74.24 18.87 79.87 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.183 0.897 . . . . 0.0 114.719 -176.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 9.6 p 57.58 -177.34 0.06 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.504 2.322 . . . . 0.0 114.781 -172.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 8.2 1.79 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -32.3 47.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.734 1.213 . . . . 0.0 113.899 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.99 -35.81 64.73 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.932 1.293 . . . . 0.0 112.916 172.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -90.7 -40.93 11.58 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.302 1.441 . . . . 0.0 112.985 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.97 -46.85 75.11 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.002 1.321 . . . . 0.0 112.284 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.488 ' HA ' HD13 ' A' ' 112' ' ' LEU . 93.2 mt-10 -71.14 -18.88 62.49 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -175.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.6 m -103.92 -31.42 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.713 1.205 . . . . 0.0 111.907 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.1 m -57.01 -39.88 75.56 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.341 1.457 . . . . 0.0 111.747 172.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.74 77.82 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 110.146 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 98.4 mt -63.78 -39.05 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 120.846 -1.159 . . . . 0.0 112.076 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.3 mt -58.74 -42.02 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.204 1.001 . . . . 0.0 110.848 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.83 -39.68 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.191 0.996 . . . . 0.0 111.324 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -58.37 -46.34 86.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.747 1.158 . . . . 0.0 111.442 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -59.15 -53.33 59.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.105 1.362 . . . . 0.0 111.212 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.61 74.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.589 0.755 . . . . 0.0 112.782 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.8 t80 -70.88 -49.42 46.2 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.841 -0.537 . . . . 0.0 112.257 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -62.65 -33.61 75.39 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.537 1.062 . . . . 0.0 111.939 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -58.54 -45.81 88.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.002 0.921 . . . . 0.0 110.783 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 29.6 t80 -70.88 -31.44 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.266 1.426 . . . . 0.0 114.519 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 30.7 mt -54.62 -32.12 58.36 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.817 1.19 . . . . 0.0 112.207 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.85 -31.88 72.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.069 0.948 . . . . 0.0 112.867 173.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 86.8 mttt -78.33 -18.47 55.14 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.486 1.914 . . . . 0.0 113.35 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -60.97 -28.92 69.35 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.017 0.927 . . . . 0.0 112.479 171.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.37 111.34 6.61 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.873 1.269 . . . . 0.0 110.144 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 4.0 t 51.94 53.09 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.656 1.582 . . . . 0.0 111.383 -172.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.31 141.13 55.21 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.156 1.382 . . . . 0.0 112.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.353 1.861 . . . . 0.0 111.347 -179.007 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.489 0.185 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -80.55 -21.94 41.29 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -67.31 135.09 52.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.87 142.09 30.85 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.769 0.427 . . . . 0.0 111.783 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 p -71.08 161.78 30.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.56 0.744 . . . . 0.0 111.435 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -58.85 -34.46 71.6 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.982 -1.074 . . . . 0.0 112.238 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.68 -43.63 75.73 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.149 0.98 . . . . 0.0 112.246 175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -63.73 -44.62 93.0 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.342 0.657 . . . . 0.0 111.292 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.73 -42.42 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 123.319 0.648 . . . . 0.0 110.561 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.63 87.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.198 0.908 . . . . 0.0 112.953 176.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.16 -41.17 86.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 112.024 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -68.53 -33.54 74.3 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.192 -0.942 . . . . 0.0 112.006 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -56.93 -53.05 62.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.524 1.529 . . . . 0.0 110.996 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.44 -26.74 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -43.01 64.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.881 0.872 . . . . 0.0 112.729 169.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -72.77 -48.22 40.14 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.345 -0.847 . . . . 0.0 112.587 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.6 p -63.35 -14.41 49.73 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.21 -20.96 61.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.802 1.241 . . . . 0.0 113.857 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' HG12 ' A' ' 35' ' ' VAL . 38.1 m-85 -123.75 -4.64 8.13 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 -177.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -68.35 116.94 9.5 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.436 -0.79 . . . . 0.0 109.683 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -95.63 -9.99 30.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.53 1.532 . . . . 0.0 114.984 -175.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.59 -20.54 11.67 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.865 1.266 . . . . 0.0 113.539 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 9.25 86.97 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.409 1.004 . . . . 0.0 113.169 -169.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -83.44 -2.63 56.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.796 1.638 . . . . 0.0 113.589 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 34.3 21.9 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.726 1.155 . . . . 0.0 113.973 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -139.49 155.95 47.23 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.529 1.164 . . . . 0.0 113.491 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.9 pt -131.32 169.89 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 127.008 2.123 . . . . 0.0 110.734 172.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 p -81.98 158.38 23.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 122.274 1.035 . . . . 0.0 112.667 168.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.422 ' HB ' HD13 ' A' ' 52' ' ' ILE . 25.2 p -61.38 -26.77 68.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.235 1.014 . . . . 0.0 112.589 171.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -68.7 -39.73 80.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.433 1.093 . . . . 0.0 112.388 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.44 -18.77 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.6 -59.21 3.15 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.584 1.154 . . . . 0.0 111.629 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.25 -25.59 69.88 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 122.071 -0.393 . . . . 0.0 113.515 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -71.43 -39.45 71.06 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.222 1.011 . . . . 0.0 111.349 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.615 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.328 2.0 m -72.85 -28.79 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 O-C-N 121.304 -0.873 . . . . 0.0 111.761 172.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.5 mtp -66.52 -39.74 88.79 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.768 -1.208 . . . . 0.0 111.826 168.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -60.95 -36.35 79.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.953 0.901 . . . . 0.0 112.274 173.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 t -62.22 -34.8 77.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.683 0.793 . . . . 0.0 112.18 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.9 27.93 0.52 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.534 1.934 . . . . 0.0 114.07 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.75 14.8 70.55 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 116.708 1.443 . . . . 0.0 116.708 168.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -139.0 129.64 26.0 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.11 1.455 . . . . 0.0 112.11 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -104.84 93.59 6.42 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 124.694 1.198 . . . . 0.0 110.227 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -68.03 157.34 62.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.635 2.89 . . . . 0.0 113.02 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -73.71 151.61 40.66 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.732 1.213 . . . . 0.0 110.877 174.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -64.49 -36.16 83.28 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.991 -1.693 . . . . 0.0 113.37 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.66 72.1 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.705 0.802 . . . . 0.0 112.679 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -66.12 -45.2 81.95 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.577 1.151 . . . . 0.0 110.984 173.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.74 -45.21 92.92 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.611 0.764 . . . . 0.0 111.758 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -59.66 -41.11 89.88 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.656 0.662 . . . . 0.0 112.158 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -66.5 -45.02 80.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.497 0.719 . . . . 0.0 112.234 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtm -65.4 -32.43 74.05 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.317 -0.864 . . . . 0.0 112.783 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD13 ' HB ' ' A' ' 29' ' ' THR . 58.7 mt -73.28 -36.06 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 172.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -61.0 -30.97 70.6 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 120.814 1.643 . . . . 0.0 112.676 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.62 -17.39 61.17 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 172.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 t -116.93 -49.86 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.33 1.452 . . . . 0.0 113.488 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -102.47 49.07 0.85 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.647 1.979 . . . . 0.0 112.133 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -22.37 65.27 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.921 -1.112 . . . . 0.0 113.09 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.84 -14.97 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.784 1.233 . . . . 0.0 113.719 173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.52 67.31 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.915 1.245 . . . . 0.0 115.125 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -77.0 -17.7 58.68 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.609 1.205 . . . . 0.0 113.789 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.89 19.29 73.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.386 1.469 . . . . 0.0 114.561 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -136.05 160.38 38.8 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.947 1.299 . . . . 0.0 113.804 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.5 mt -141.11 137.45 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 127.218 2.207 . . . . 0.0 108.692 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.25 156.62 18.17 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.846 0.748 . . . . 0.0 111.483 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -47.24 -54.84 18.53 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -70.05 -22.77 30.31 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.81 1.673 . . . . 0.0 113.302 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -74.69 -34.15 62.58 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.579 -0.701 . . . . 0.0 111.711 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -63.22 -42.19 99.23 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.446 -0.784 . . . . 0.0 111.88 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.35 -19.76 64.92 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -35.83 80.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.056 0.843 . . . . 0.0 112.947 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.0 ptp -84.01 -33.25 24.58 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.639 -0.663 . . . . 0.0 111.853 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.6 mmm -62.45 -35.67 80.03 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.674 -0.641 . . . . 0.0 111.309 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.3 64.35 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.038 0.935 . . . . 0.0 113.503 170.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -80.71 -38.32 29.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.025 1.33 . . . . 0.0 113.074 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -66.81 -35.79 80.88 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.655 1.182 . . . . 0.0 112.528 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.2 mmm -75.0 164.82 26.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.262 1.825 . . . . 0.0 113.614 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -147.85 155.66 41.87 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.069 1.748 . . . . 0.0 111.192 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.53 152.43 30.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.945 0.898 . . . . 0.0 112.33 170.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -63.31 140.73 58.9 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.442 1.097 . . . . 0.0 113.29 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 62.21 10.69 3.94 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.5 m 56.9 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.939 2.495 . . . . 0.0 115.839 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.81 -42.5 71.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -67.67 -36.25 80.35 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.592 0.757 . . . . 0.0 111.625 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 -42.94 80.87 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.11 0.964 . . . . 0.0 111.067 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.46 -47.23 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.076 0.951 . . . . 0.0 110.604 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -58.06 -45.39 87.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.237 0.926 . . . . 0.0 111.847 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -65.09 -45.51 84.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.318 0.647 . . . . 0.0 112.243 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.39 89.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.78 1.232 . . . . 0.0 112.464 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -66.05 -42.45 89.52 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.204 -0.935 . . . . 0.0 112.281 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -64.5 -21.75 66.76 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.286 -0.884 . . . . 0.0 113.307 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -68.74 -23.51 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.558 1.543 . . . . 0.0 112.519 168.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.593 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.1 m-85 -97.47 -24.97 15.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.176 1.39 . . . . 0.0 113.589 174.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -58.98 117.6 4.85 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.232 1.013 . . . . 0.0 109.9 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -71.57 -16.74 62.32 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -169.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -143.25 2.17 1.27 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.11 23.03 78.5 Favored Glycine 0 CA--C 1.535 1.312 0 O-C-N 120.737 -1.227 . . . . 0.0 113.866 -175.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.34 -6.69 51.19 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.404 1.481 . . . . 0.0 113.895 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.65 22.53 53.27 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.624 1.107 . . . . 0.0 113.135 -175.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.46 164.06 38.31 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.844 1.257 . . . . 0.0 111.559 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.6 mt -129.66 139.11 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.99 1.716 . . . . 0.0 108.781 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.2 m -66.99 139.66 57.69 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.586 -1.321 . . . . 0.0 111.303 172.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.92 82.33 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.179 -0.95 . . . . 0.0 112.591 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.34 72.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.625 0.77 . . . . 0.0 112.973 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -74.73 -42.29 58.57 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.403 -0.81 . . . . 0.0 111.881 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.29 -40.21 86.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.089 0.859 . . . . 0.0 110.82 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.48 -38.67 90.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.81 0.844 . . . . 0.0 112.234 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -57.28 -63.48 1.21 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.026 0.531 . . . . 0.0 110.167 171.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.734 HG23 HD12 ' A' ' 112' ' ' LEU . 13.7 p -64.36 -37.51 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.867 0.758 . . . . 0.0 112.7 -172.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.4 mmt -68.36 -16.69 64.02 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.3 p -113.87 5.27 16.18 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 170.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -109.63 -39.56 5.1 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.924 1.29 . . . . 0.0 113.122 174.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.734 HD12 HG23 ' A' ' 108' ' ' VAL . 34.6 mt -125.66 139.45 53.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.48 1.112 . . . . 0.0 111.224 -168.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.85 -150.83 38.31 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-O 121.962 0.757 . . . . 0.0 114.41 -175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -74.17 16.19 0.26 Allowed 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 -168.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.04 107.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 129.606 3.162 . . . . 0.0 114.815 -176.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.56 136.9 56.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.06 -1.025 . . . . 0.0 109.194 168.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -64.82 161.93 17.2 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.727 1.211 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -47.89 -44.38 29.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.457 1.503 . . . . 0.0 114.499 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.61 -29.66 27.56 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.139 0.976 . . . . 0.0 113.024 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.08 -40.82 67.98 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.997 1.719 . . . . 0.0 112.387 -176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.32 -30.67 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.572 -0.705 . . . . 0.0 111.072 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.19 -37.63 63.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.15 0.98 . . . . 0.0 112.038 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -56.82 -40.89 76.84 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.104 1.362 . . . . 0.0 110.075 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -59.02 -55.98 28.12 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.985 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.65 -40.06 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 120.967 1.712 . . . . 0.0 111.007 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -62.23 -14.2 35.78 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -123.6 -13.49 7.51 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -83.79 -25.31 30.55 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.866 2.466 . . . . 0.0 113.34 170.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -69.11 147.09 51.94 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -170.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 44.7 mt -81.13 -49.37 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 125.913 1.685 . . . . 0.0 108.866 168.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -156.06 161.12 40.46 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.865 2.066 . . . . 0.0 110.521 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.04 -8.45 8.46 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.578 1.561 . . . . 0.0 115.83 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.9 -8.28 42.72 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.472 1.509 . . . . 0.0 113.736 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.68 33.23 5.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 116.324 1.289 . . . . 0.0 116.324 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -108.23 140.82 40.9 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.557 1.178 . . . . 0.0 111.108 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.463 HG13 ' HB1' ' A' ' 128' ' ' ALA . 3.3 t -114.31 131.32 66.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.456 1.902 . . . . 0.0 109.404 171.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -100.11 93.57 5.79 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 123.064 1.411 . . . . 0.0 112.69 171.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -60.19 -27.95 67.57 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.345 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.77 -24.87 66.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.198 0.908 . . . . 0.0 113.094 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -90.59 -36.88 14.18 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.499 -0.75 . . . . 0.0 111.387 167.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.59 -42.8 93.39 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.193 0.997 . . . . 0.0 112.784 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.86 -50.69 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.367 1.067 . . . . 0.0 111.831 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -64.18 -37.18 86.54 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.836 0.744 . . . . 0.0 111.793 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.38 -44.69 90.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.127 0.571 . . . . 0.0 112.11 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.0 mtm -65.99 -41.3 91.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.544 0.611 . . . . 0.0 112.566 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.8 p -77.42 -22.99 50.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 -177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.52 169.7 5.8 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.622 1.169 . . . . 0.0 113.838 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.279 1.832 . . . . 0.0 111.062 172.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 119.491 -0.616 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -55.57 144.68 73.45 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 124.081 3.187 . . . . 0.0 114.556 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 77.34 -16.88 5.57 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 125.426 1.489 . . . . 0.0 115.62 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m 50.15 35.91 11.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.625 1.97 . . . . 0.0 115.733 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -108.89 -14.06 14.64 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -168.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -59.77 -34.77 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.034 0.934 . . . . 0.0 113.509 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.83 -43.02 99.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.548 1.139 . . . . 0.0 112.495 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -75.18 -40.68 59.17 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.335 0.654 . . . . 0.0 111.755 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.41 -43.88 75.69 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.922 1.289 . . . . 0.0 112.054 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 46.8 tt0 -66.84 -24.87 66.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.5 m -101.15 -30.1 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.529 1.132 . . . . 0.0 112.307 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.7 m -53.9 -41.62 67.81 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.945 1.298 . . . . 0.0 110.691 169.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.58 84.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.539 0.736 . . . . 0.0 110.469 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -39.39 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.858 -1.151 . . . . 0.0 112.003 -176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.0 mt -58.23 -43.93 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.573 1.149 . . . . 0.0 110.568 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -72.99 -41.06 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.454 1.102 . . . . 0.0 111.406 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -55.52 -46.67 76.99 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.718 1.145 . . . . 0.0 111.215 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -68.63 -46.99 67.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.687 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.15 78.01 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.57 -49.99 55.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.814 -0.554 . . . . 0.0 112.066 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -63.92 -26.54 68.64 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.46 -0.775 . . . . 0.0 112.928 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -63.88 -46.47 84.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.854 1.262 . . . . 0.0 111.103 169.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.8 -33.16 75.0 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.794 1.238 . . . . 0.0 113.53 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 35.7 mt -55.65 -26.38 44.16 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.078 -1.014 . . . . 0.0 113.167 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.18 -28.49 69.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.212 0.915 . . . . 0.0 113.002 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -74.12 -37.15 64.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.745 1.218 . . . . 0.0 112.101 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -80.94 -26.51 36.62 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 54.4 tttm -74.64 65.21 1.29 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.903 1.681 . . . . 0.0 112.468 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.5 m -76.71 37.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.928 1.691 . . . . 0.0 112.965 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -155.34 162.95 40.71 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.097 1.759 . . . . 0.0 113.004 -172.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.245 1.418 . . . . 0.0 111.198 169.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.572 0.225 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.78 74.84 2.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.804 1.242 . . . . 0.0 111.278 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -137.01 146.14 44.93 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.634 1.574 . . . . 0.0 111.917 -172.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.43 147.44 26.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.541 1.136 . . . . 0.0 111.757 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.0 p -82.98 164.52 20.34 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.285 1.034 . . . . 0.0 111.271 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -57.64 -32.92 67.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.287 -0.883 . . . . 0.0 113.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.78 -50.7 72.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.052 1.341 . . . . 0.0 111.869 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.71 -44.06 87.25 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.205 1.002 . . . . 0.0 110.895 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.82 -43.74 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 123.655 0.782 . . . . 0.0 110.884 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.56 76.84 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.616 1.098 . . . . 0.0 112.974 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -65.3 -43.31 91.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.907 -1.121 . . . . 0.0 111.516 172.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -66.58 -33.82 76.52 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 0.0 112.516 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -59.2 -48.81 80.24 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.448 1.499 . . . . 0.0 110.943 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -47.88 78.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.784 0.834 . . . . 0.0 112.049 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.24 77.94 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.836 1.051 . . . . 0.0 113.836 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.45 -51.13 13.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.505 1.048 . . . . 0.0 112.321 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.8 p -63.39 -16.93 61.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.39 -22.92 21.87 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.194 1.398 . . . . 0.0 114.25 170.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 35' ' ' VAL . 40.9 m-85 -123.99 2.0 8.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.305 1.442 . . . . 0.0 113.479 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -71.1 106.41 3.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.517 0.675 . . . . 0.0 110.366 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -81.37 -11.29 59.34 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -115.22 -21.76 9.77 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.21 7.54 88.44 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.649 1.119 . . . . 0.0 114.034 -171.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -83.71 -2.13 55.57 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.473 1.509 . . . . 0.0 114.189 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.13 33.69 19.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.454 1.026 . . . . 0.0 113.61 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -140.33 158.07 44.59 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.56 1.144 . . . . 0.0 113.693 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.33 169.7 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 127.421 2.289 . . . . 0.0 110.004 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -87.12 162.78 17.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.984 -1.073 . . . . 0.0 113.138 169.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -58.58 -24.76 61.57 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.544 1.138 . . . . 0.0 112.618 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.47 -38.65 59.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.693 1.197 . . . . 0.0 112.789 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.79 -23.26 58.47 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.72 -61.78 1.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.107 1.363 . . . . 0.0 112.428 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -22.43 70.22 Favored Glycine 0 CA--C 1.533 1.185 0 O-C-N 121.938 -0.476 . . . . 0.0 113.768 -177.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -71.68 -41.16 69.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.205 1.002 . . . . 0.0 110.646 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.31 1.4 m -71.64 -30.19 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 O-C-N 121.409 -0.807 . . . . 0.0 111.937 174.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.81 -39.47 93.63 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.005 -1.059 . . . . 0.0 111.826 168.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -66.31 -32.38 73.75 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.939 0.896 . . . . 0.0 113.225 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -62.89 -30.14 71.31 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.366 0.666 . . . . 0.0 112.373 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.67 17.62 3.84 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.118 1.767 . . . . 0.0 113.846 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 2.86 59.64 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.78 1.181 . . . . 0.0 115.54 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -81.02 176.39 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.254 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -159.71 79.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.894 0 O-C-N 121.13 -0.981 . . . . 0.0 109.952 166.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -66.93 152.25 80.71 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.857 3.038 . . . . 0.0 112.249 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -74.14 164.32 26.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.687 0.795 . . . . 0.0 111.886 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -58.98 -38.18 78.53 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.324 -0.86 . . . . 0.0 111.82 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.56 80.52 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.092 0.957 . . . . 0.0 112.687 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.81 -48.05 82.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.787 0.835 . . . . 0.0 111.624 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.28 -46.12 90.95 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.929 -0.482 . . . . 0.0 111.577 176.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.3 -41.26 93.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.636 0.653 . . . . 0.0 112.263 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.61 -41.14 93.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.811 0.732 . . . . 0.0 112.59 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -68.41 -40.65 81.19 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.477 -0.765 . . . . 0.0 112.018 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.88 -32.51 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.424 1.09 . . . . 0.0 111.722 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.2 -34.14 70.05 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.389 1.45 . . . . 0.0 113.479 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -80.11 -40.99 26.37 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.602 0.761 . . . . 0.0 112.814 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.67 -47.76 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.375 1.07 . . . . 0.0 112.678 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.87 31.25 1.09 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.011 2.125 . . . . 0.0 112.868 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.89 -24.91 68.06 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.773 -1.204 . . . . 0.0 113.455 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -85.1 -5.52 59.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.699 1.199 . . . . 0.0 113.792 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 20.92 79.44 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 120.858 -1.152 . . . . 0.0 115.218 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.14 -18.17 59.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.721 1.608 . . . . 0.0 114.215 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.14 11.41 79.2 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.629 1.585 . . . . 0.0 115.656 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.9 p -133.57 160.31 37.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.197 1.399 . . . . 0.0 113.306 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.2 mt -138.64 133.63 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 126.695 1.998 . . . . 0.0 108.077 -173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.09 157.31 19.43 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.628 0.649 . . . . 0.0 111.317 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -46.84 -54.31 20.64 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.67 -21.11 29.72 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.808 1.672 . . . . 0.0 113.453 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -74.8 -38.19 62.17 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.443 -0.785 . . . . 0.0 111.534 174.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -59.22 -41.14 87.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.434 -0.791 . . . . 0.0 111.684 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt -63.81 -18.69 64.37 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -39.47 90.25 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.315 0.961 . . . . 0.0 112.582 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.19 -31.87 24.87 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.62 -0.675 . . . . 0.0 112.151 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 82.4 mmm -64.5 -37.43 87.52 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.961 0.504 . . . . 0.0 111.17 177.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.07 72.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.845 0.748 . . . . 0.0 113.006 173.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -74.35 -49.64 21.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.548 1.139 . . . . 0.0 111.661 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -58.56 -38.18 77.3 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.889 1.276 . . . . 0.0 112.88 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mmm -72.84 -11.75 60.72 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.465 1.506 . . . . 0.0 114.415 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -85.57 17.4 3.27 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -78.78 2.69 18.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.997 1.319 . . . . 0.0 113.373 169.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -126.87 174.99 8.38 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.701 2.0 . . . . 0.0 111.611 171.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.13 149.81 44.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.846 2.059 . . . . 0.0 115.11 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.4 t -151.17 125.5 9.41 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.773 2.029 . . . . 0.0 108.627 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.65 -51.5 69.68 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -167.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -72.3 -27.3 62.37 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.41 -0.806 . . . . 0.0 112.763 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.77 -48.65 71.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.278 0.631 . . . . 0.0 110.794 174.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.415 HG22 HG22 ' A' ' 142' ' ' VAL . 68.7 mt -59.83 -47.22 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.149 1.38 . . . . 0.0 110.093 175.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -62.71 -42.81 99.84 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.254 0.622 . . . . 0.0 112.67 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -71.2 -39.39 71.8 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.687 0.676 . . . . 0.0 112.261 175.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.62 76.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.957 0.903 . . . . 0.0 112.419 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.65 -43.45 76.21 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 120.938 -1.101 . . . . 0.0 112.548 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -59.51 -26.63 65.47 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.724 0.81 . . . . 0.0 113.184 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.5 t -64.81 -25.79 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 126.067 1.747 . . . . 0.0 113.232 170.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.6 m-85 -97.22 -18.82 19.01 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.932 1.293 . . . . 0.0 113.864 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -59.46 116.32 3.88 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.398 1.079 . . . . 0.0 110.72 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -73.9 -22.47 59.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.799 1.239 . . . . 0.0 113.676 -171.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -124.03 -14.62 7.05 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.244 1.418 . . . . 0.0 114.065 -170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.15 19.71 79.59 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.607 1.099 . . . . 0.0 112.975 -169.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.97 9.3 39.92 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 125.501 1.521 . . . . 0.0 113.815 -170.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.19 65.52 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.839 -1.163 . . . . 0.0 114.113 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.26 165.55 30.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.003 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.4 mt -130.48 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.645 1.578 . . . . 0.0 108.831 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 m -65.35 142.01 58.37 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.578 -1.326 . . . . 0.0 111.113 177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.64 89.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.02 -1.05 . . . . 0.0 112.405 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -31.91 73.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.509 0.723 . . . . 0.0 112.938 173.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -71.72 -46.9 57.14 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.817 0.847 . . . . 0.0 111.645 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.43 -41.34 84.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.959 0.8 . . . . 0.0 111.11 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -59.96 -40.72 90.01 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.895 0.878 . . . . 0.0 111.942 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -58.41 -62.6 1.72 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.122 0.569 . . . . 0.0 110.581 171.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.713 HG23 HD12 ' A' ' 112' ' ' LEU . 13.9 p -64.85 -35.21 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 0.0 112.69 -171.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.3 mmt -67.57 -15.62 63.75 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.4 p -120.29 4.15 10.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -109.45 -38.31 5.5 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 126.078 1.751 . . . . 0.0 112.675 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.713 HD12 HG23 ' A' ' 108' ' ' VAL . 23.9 mt -126.3 145.53 50.38 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.841 1.256 . . . . 0.0 110.893 -169.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.98 -148.55 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 114.4 0.52 . . . . 0.0 114.4 -173.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.34 -9.26 58.27 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -172.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 61.5 134.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 129.229 3.012 . . . . 0.0 113.484 -172.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.17 146.73 27.69 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.138 -0.976 . . . . 0.0 109.892 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.74 161.6 23.2 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.053 0.941 . . . . 0.0 110.588 170.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -49.47 -47.52 48.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.497 1.519 . . . . 0.0 114.187 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.87 -24.83 35.52 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.656 0.782 . . . . 0.0 112.923 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.28 -41.69 73.07 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.242 1.417 . . . . 0.0 111.949 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.84 -33.22 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.399 0.68 . . . . 0.0 111.629 174.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -71.5 -26.73 62.8 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.291 -0.881 . . . . 0.0 112.093 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -66.96 -33.32 75.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.223 1.009 . . . . 0.0 111.663 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.1 ttm -66.7 -53.18 36.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.298 0.639 . . . . 0.0 110.579 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.1 mm -58.09 -35.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 119.15 0.886 . . . . 0.0 112.03 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -58.29 -31.44 67.49 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -112.06 -24.42 9.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.834 1.254 . . . . 0.0 113.446 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.447 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -70.89 -37.71 73.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.373 1.869 . . . . 0.0 111.946 171.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -90.39 124.77 35.21 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.941 -1.099 . . . . 0.0 110.81 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -76.35 -30.86 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.904 1.282 . . . . 0.0 112.024 -177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -112.23 -23.84 10.17 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.151 1.381 . . . . 0.0 114.38 -171.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.76 12.6 74.4 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.149 1.357 . . . . 0.0 114.444 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -85.33 16.87 3.39 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.851 1.66 . . . . 0.0 114.039 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.97 26.77 65.93 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.572 1.558 . . . . 0.0 113.763 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -128.25 92.3 3.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.998 1.719 . . . . 0.0 109.855 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.447 HG13 ' HB1' ' A' ' 128' ' ' ALA . 9.6 t -66.07 127.07 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.614 -0.679 . . . . 0.0 109.883 172.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.67 97.14 9.12 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.979 0.895 . . . . 0.0 110.239 169.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 142' ' ' VAL . 4.9 p90 -66.95 -29.37 69.22 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.241 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.06 -42.87 91.34 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.582 1.537 . . . . 0.0 112.778 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -75.23 -40.07 59.43 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.434 0.694 . . . . 0.0 112.372 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 4.1 t80 -61.93 -39.95 93.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 138' ' ' TYR . 96.8 t -50.65 -59.54 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.721 1.208 . . . . 0.0 109.283 172.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -71.1 -29.17 64.95 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.955 -166.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.6 ttp -65.97 -48.85 69.91 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.025 1.33 . . . . 0.0 111.832 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.4 ttp -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.073 1.349 . . . . 0.0 112.491 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p -92.95 -1.46 56.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 174.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.51 142.93 58.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.72 1.145 . . . . 0.0 112.784 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.5 tptp . . . . . 0 C--O 1.25 1.107 0 C-N-CA 124.121 0.968 . . . . 0.0 111.985 173.404 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -69.24 158.1 58.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.972 3.115 . . . . 0.0 112.489 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -64.32 -21.54 66.49 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.121 0.867 . . . . 0.0 114.992 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 37.0 t -158.19 159.49 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.303 1.841 . . . . 0.0 110.671 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 28.1 tptp -52.48 -47.71 66.36 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 169.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -67.18 -33.27 75.04 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.356 1.062 . . . . 0.0 113.567 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 28.8 tptp -58.58 -33.74 70.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.779 0.832 . . . . 0.0 112.031 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -90.32 -41.53 11.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 0.0 113.619 172.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -56.99 -45.94 82.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.853 1.261 . . . . 0.0 112.667 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.499 ' HG2' HD22 ' A' ' 112' ' ' LEU . 93.8 mt-10 -71.23 -17.48 62.5 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.4 m -105.46 -30.62 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.787 1.235 . . . . 0.0 112.272 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 68.3 m -56.98 -40.1 75.89 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.713 1.205 . . . . 0.0 111.219 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.0 78.71 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.586 0.755 . . . . 0.0 110.675 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.48 -42.37 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.26 -0.9 . . . . 0.0 111.457 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.32 -42.79 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.077 0.951 . . . . 0.0 111.163 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.89 -37.67 73.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.144 0.978 . . . . 0.0 110.48 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.01 -43.72 95.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.558 1.072 . . . . 0.0 112.306 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -59.59 -49.12 78.98 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.69 0.796 . . . . 0.0 111.042 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.85 87.52 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 124.018 0.927 . . . . 0.0 113.229 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.18 -49.26 72.74 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.191 -0.318 . . . . 0.0 111.792 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.77 -29.66 70.2 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.399 -0.813 . . . . 0.0 112.459 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -58.96 -44.74 91.51 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.774 1.17 . . . . 0.0 110.838 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -66.49 -41.86 88.29 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.202 0.601 . . . . 0.0 112.53 173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.35 -38.3 73.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.716 0.689 . . . . 0.0 112.402 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 54.5 tp -68.66 -47.95 65.21 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.228 1.011 . . . . 0.0 111.465 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -59.4 -31.82 69.6 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.131 1.372 . . . . 0.0 113.925 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -81.51 -0.64 42.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -129.0 -40.8 1.48 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 64.3 t -87.51 155.24 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.577 1.551 . . . . 0.0 109.867 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 115.71 1.54 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.253 1.421 . . . . 0.0 110.859 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? . . . . . 0 C--O 1.25 1.1 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -169.363 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -72.22 -11.05 60.55 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -65.13 133.33 51.35 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.186 0.994 . . . . 0.0 111.57 169.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.62 121.72 42.54 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.207 0.603 . . . . 0.0 109.488 167.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -108.68 174.29 5.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.977 1.711 . . . . 0.0 108.074 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -54.81 -28.44 49.34 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.459 -1.401 . . . . 0.0 114.054 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.4 -49.13 70.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.148 0.979 . . . . 0.0 112.553 174.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -64.6 -43.97 92.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.97 -42.94 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.816 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.16 90.04 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.229 0.922 . . . . 0.0 112.625 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.19 -46.03 82.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.213 -0.93 . . . . 0.0 111.893 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -66.0 -34.62 78.52 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.314 0.646 . . . . 0.0 112.498 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -56.7 -51.78 67.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.449 1.5 . . . . 0.0 111.161 175.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.09 -45.49 88.45 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.821 0.848 . . . . 0.0 112.04 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.72 74.85 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -74.82 -49.95 18.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.538 1.063 . . . . 0.0 112.422 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.7 p -62.9 -17.47 61.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.76 0.824 . . . . 0.0 113.047 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.64 -20.73 35.38 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.597 1.559 . . . . 0.0 114.257 171.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' HG12 ' A' ' 35' ' ' VAL . 20.5 m-85 -132.22 11.34 4.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.249 1.42 . . . . 0.0 113.166 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -65.53 123.58 20.03 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.487 -0.758 . . . . 0.0 111.309 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -72.23 -25.87 61.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.166 1.386 . . . . 0.0 114.501 -169.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -124.31 -18.06 5.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.538 1.135 . . . . 0.0 113.956 -171.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.52 5.02 90.25 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 124.658 1.123 . . . . 0.0 112.847 -168.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -101.67 8.77 41.52 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.73 2.012 . . . . 0.0 113.677 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.14 34.83 7.36 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.672 -1.071 . . . . 0.0 115.122 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -137.76 152.58 49.33 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 119.3 1.55 . . . . 0.0 113.455 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 pt -125.83 169.21 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 126.514 1.926 . . . . 0.0 110.279 172.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -83.94 159.37 21.29 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 122.138 0.971 . . . . 0.0 112.23 169.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' HD13 ' A' ' 52' ' ' ILE . 34.1 p -60.65 -26.83 67.35 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.091 0.956 . . . . 0.0 112.361 169.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -71.46 -42.33 68.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 0.0 112.618 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -75.77 -14.53 60.32 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.36 -58.97 3.24 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.505 1.122 . . . . 0.0 111.804 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.69 -28.53 73.71 Favored Glycine 0 CA--C 1.533 1.18 0 O-C-N 121.984 -0.448 . . . . 0.0 113.457 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -65.42 -38.41 89.85 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.126 0.963 . . . . 0.0 111.092 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.575 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.317 1.5 m -75.1 -35.07 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.314 172.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.0 mtp -58.91 -38.27 78.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.764 1.62 . . . . 0.0 112.163 170.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -61.9 -30.48 70.91 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.138 0.975 . . . . 0.0 112.822 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.9 t -67.07 -33.67 76.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.827 0.851 . . . . 0.0 112.502 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.28 5.5 8.43 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.086 0.954 . . . . 0.0 113.108 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.56 37.91 52.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 120.783 -1.198 . . . . 0.0 113.921 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -143.49 133.08 23.61 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.239 1.02 . . . . 0.0 111.127 171.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -114.95 87.85 15.92 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.624 1.17 . . . . 0.0 111.407 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -69.49 154.73 68.42 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.607 2.871 . . . . 0.0 112.513 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -82.82 166.45 18.98 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.634 -0.666 . . . . 0.0 112.542 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -62.41 -42.52 99.5 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.558 -1.339 . . . . 0.0 113.215 -175.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.71 -34.83 77.66 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.66 -0.65 . . . . 0.0 112.486 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -68.19 -42.42 79.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.01 -48.25 82.7 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.532 0.733 . . . . 0.0 111.339 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.49 -34.77 77.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.9 -37.85 89.01 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.052 0.842 . . . . 0.0 112.474 175.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -71.1 -41.36 70.71 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.352 -0.843 . . . . 0.0 111.699 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.42 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.7 mt -66.09 -27.24 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.856 0.862 . . . . 0.0 111.888 177.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -57.99 -34.86 70.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.085 1.312 . . . . 0.0 112.336 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -87.53 -40.44 14.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.952 0.901 . . . . 0.0 112.35 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -73.81 -38.16 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.128 1.371 . . . . 0.0 113.264 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -123.63 51.85 1.47 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.148 1.779 . . . . 0.0 112.423 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.8 63.17 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 121.251 -0.905 . . . . 0.0 113.34 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -76.05 -19.92 58.2 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.004 1.322 . . . . 0.0 113.835 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.71 30.11 70.84 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.376 0.989 . . . . 0.0 114.021 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -18.79 58.23 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.439 1.496 . . . . 0.0 113.202 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.18 13.13 79.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.946 1.736 . . . . 0.0 115.88 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.9 p -134.87 159.14 42.35 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.159 1.479 . . . . 0.0 114.029 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.0 mt -138.8 135.79 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.466 2.306 . . . . 0.0 108.461 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.36 157.4 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.929 0.786 . . . . 0.0 111.512 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -46.3 -56.21 11.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.523 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -68.93 -21.38 37.55 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.115 1.877 . . . . 0.0 113.587 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -74.05 -39.22 63.65 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.474 -0.766 . . . . 0.0 111.373 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.34 -39.18 89.61 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.396 -0.815 . . . . 0.0 112.233 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.22 -22.82 63.48 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -37.84 88.06 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.836 0.744 . . . . 0.0 112.629 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.91 -36.08 23.6 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.9 -0.5 . . . . 0.0 111.367 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.8 mmm -62.41 -28.0 69.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.252 0.933 . . . . 0.0 113.053 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.45 85.67 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.587 0.755 . . . . 0.0 112.408 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -80.98 -36.13 31.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.897 1.679 . . . . 0.0 113.566 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -86.14 -2.62 58.52 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.453 1.901 . . . . 0.0 114.44 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 mtm -60.41 141.43 56.34 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.364 0.984 . . . . 0.0 112.772 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -79.87 66.89 5.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.246 1.818 . . . . 0.0 112.42 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -72.09 -22.9 61.28 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.4 m -89.45 144.46 26.03 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.987 0.915 . . . . 0.0 110.394 170.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.82 151.21 8.8 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.631 1.172 . . . . 0.0 112.896 174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.2 t -62.11 137.4 58.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.578 0.751 . . . . 0.0 112.813 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.88 -45.29 90.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.666 1.187 . . . . 0.0 112.164 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.76 -35.01 79.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.379 0.672 . . . . 0.0 112.049 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.36 -46.44 76.74 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.529 0.731 . . . . 0.0 111.451 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.6 mt -60.21 -46.27 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.96 0.904 . . . . 0.0 110.172 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -64.78 -38.19 90.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.953 0.901 . . . . 0.0 112.515 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.8 -43.84 71.26 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.236 1.015 . . . . 0.0 112.568 172.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.48 67.8 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.742 1.217 . . . . 0.0 113.241 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -76.78 -37.69 55.38 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.125 -0.984 . . . . 0.0 111.424 168.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.98 72.88 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.081 -1.012 . . . . 0.0 112.956 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.85 -11.4 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -105.57 -12.81 15.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.81 1.644 . . . . 0.0 113.778 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -56.69 127.24 30.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.718 1.207 . . . . 0.0 110.5 -175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -59.71 -39.82 85.88 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.748 1.619 . . . . 0.0 113.862 -167.473 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -154.9 6.69 0.26 Allowed 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.78 5.99 54.77 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.256 1.407 . . . . 0.0 115.132 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -75.6 -2.51 29.61 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.036 1.418 . . . . 0.0 114.796 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.16 28.56 40.47 Favored Glycine 0 N--CA 1.473 1.151 0 CA-C-N 119.607 1.094 . . . . 0.0 113.173 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.92 164.71 32.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.385 1.474 . . . . 0.0 110.26 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -128.69 135.93 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.389 1.476 . . . . 0.0 108.877 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -68.18 147.04 52.82 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 120.583 -1.323 . . . . 0.0 112.112 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.92 -41.54 87.54 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.433 -0.792 . . . . 0.0 112.691 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.67 70.72 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.16 -48.22 45.06 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.96 0.904 . . . . 0.0 111.543 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.35 -35.73 76.19 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.662 0.664 . . . . 0.0 111.434 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -59.98 -42.75 94.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.614 1.097 . . . . 0.0 111.15 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.04 -59.51 5.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.882 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 m -58.37 -39.84 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 120.63 1.559 . . . . 0.0 111.984 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mmt -77.25 -15.09 59.61 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -110.99 1.78 17.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -108.89 -27.62 9.61 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 176.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 mt -134.6 140.61 46.21 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.725 1.21 . . . . 0.0 110.696 -169.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.02 -146.0 26.25 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 114.83 0.692 . . . . 0.0 114.83 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.98 -17.59 63.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 60.55 119.6 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 128.792 2.837 . . . . 0.0 112.705 -169.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.0 mt -78.14 147.8 34.41 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.433 -0.792 . . . . 0.0 110.953 169.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -68.2 161.09 27.86 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.472 1.109 . . . . 0.0 110.552 172.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -54.46 -43.89 72.09 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.21 -23.04 35.63 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.186 -0.946 . . . . 0.0 112.774 175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -75.17 -40.84 59.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.367 1.467 . . . . 0.0 112.1 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.14 -33.82 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.27 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -69.91 -35.06 74.28 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.387 -0.821 . . . . 0.0 112.294 171.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.92 -33.6 73.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.919 0.782 . . . . 0.0 111.348 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.4 ttm -64.8 -55.4 19.87 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.594 172.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -56.91 -37.67 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 119.621 1.101 . . . . 0.0 111.487 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -55.73 -33.66 64.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.57 1.148 . . . . 0.0 114.046 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -110.39 -19.03 13.11 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.062 1.345 . . . . 0.0 114.431 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -82.11 -34.01 29.47 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.318 1.847 . . . . 0.0 113.012 175.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.46 120.32 13.73 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.634 1.173 . . . . 0.0 111.52 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.6 tp -79.93 -28.53 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 123.96 0.904 . . . . 0.0 113.297 -172.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -114.76 -20.22 10.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 114.349 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.47 5.65 88.35 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 124.476 1.036 . . . . 0.0 113.315 -168.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -100.0 9.47 42.84 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.472 1.909 . . . . 0.0 113.914 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.1 24.64 12.41 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.096 1.332 . . . . 0.0 115.101 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -125.41 103.18 7.77 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.0 1.4 . . . . 0.0 111.483 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.573 HG13 ' HB1' ' A' ' 128' ' ' ALA . 27.0 t -71.46 123.33 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.935 -0.478 . . . . 0.0 110.427 171.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.66 99.97 12.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.136 0.969 . . . . 0.0 109.433 168.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -69.96 -24.82 63.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.911 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.47 -31.79 69.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.945 1.248 . . . . 0.0 112.174 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.78 -42.01 58.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.591 -0.693 . . . . 0.0 110.532 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.56 -40.33 92.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.294 1.038 . . . . 0.0 113.685 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.25 -43.27 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.179 -0.951 . . . . 0.0 111.599 176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.986 0.914 . . . . 0.0 112.079 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.4 ttp -69.4 -48.49 60.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.675 0.79 . . . . 0.0 112.698 173.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.48 -38.9 92.9 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.436 -0.79 . . . . 0.0 112.3 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p -82.09 -1.93 50.26 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.22 160.28 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.296 0.953 . . . . 0.0 112.403 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp . . . . . 0 C--O 1.252 1.185 0 C-N-CA 125.093 1.357 . . . . 0.0 111.421 176.673 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 CA-C-O 119.78 -0.456 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -66.99 138.25 47.3 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.804 3.002 . . . . 0.0 112.082 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.41 96.02 Favored Glycine 0 CA--C 1.536 1.375 0 N-CA-C 115.036 0.775 . . . . 0.0 115.036 -174.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 7.5 t -84.35 -165.49 1.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.065 1.346 . . . . 0.0 113.612 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -61.14 -8.65 3.68 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.545 2.738 . . . . 0.0 116.15 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -53.9 -30.46 46.25 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.818 1.647 . . . . 0.0 113.413 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 40.0 mttp -52.88 -49.64 65.46 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.921 1.689 . . . . 0.0 112.4 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -84.42 -38.43 20.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.75 1.22 . . . . 0.0 111.797 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.7 -45.66 74.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 112.247 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -67.39 -26.17 66.32 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.4 m -98.56 -32.58 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.694 1.198 . . . . 0.0 111.823 -175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -57.51 -40.1 77.96 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.167 1.387 . . . . 0.0 111.395 170.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.76 70.07 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.904 -0.497 . . . . 0.0 111.303 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.57 -39.14 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.007 -1.058 . . . . 0.0 111.74 -176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.97 -40.07 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.867 0.867 . . . . 0.0 110.959 176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.6 mt -75.75 -40.89 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.434 1.094 . . . . 0.0 111.386 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -56.51 -48.77 76.49 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.621 1.168 . . . . 0.0 111.517 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -67.38 -42.65 83.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.595 1.158 . . . . 0.0 111.486 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.89 95.97 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.408 0.683 . . . . 0.0 112.441 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -66.17 -52.73 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.269 0.627 . . . . 0.0 112.219 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.885 0.874 . . . . 0.0 112.404 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -69.17 -46.5 67.38 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.941 0.791 . . . . 0.0 111.242 169.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 53.1 t80 -61.8 -32.87 73.19 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.88 -30.1 44.48 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.153 -0.967 . . . . 0.0 112.712 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.55 -48.09 50.89 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.607 0.763 . . . . 0.0 110.995 171.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 89.4 mttt -57.81 -25.84 61.16 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.094 1.758 . . . . 0.0 113.712 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.77 -29.28 64.71 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -121.45 -38.55 2.76 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.126 1.37 . . . . 0.0 113.934 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 62.4 t -140.13 126.78 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.861 1.665 . . . . 0.0 109.872 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -145.91 148.41 32.79 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.94 1.296 . . . . 0.0 111.119 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 C--O 1.247 0.957 0 C-N-CA 126.533 1.933 . . . . 0.0 110.79 -179.736 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.692 0.282 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -72.61 -11.59 60.71 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -49.15 140.68 9.17 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.352 1.861 . . . . 0.0 113.293 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -86.11 144.67 27.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 173.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -70.42 161.19 30.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.91 0.884 . . . . 0.0 111.279 171.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.35 -30.22 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.911 -1.118 . . . . 0.0 112.619 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.16 -44.77 64.85 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.125 0.97 . . . . 0.0 111.967 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -62.04 -44.22 97.16 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.457 0.703 . . . . 0.0 111.062 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.5 mt -62.08 -45.3 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.011 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.96 78.31 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.881 1.219 . . . . 0.0 112.969 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.4 -44.88 89.87 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.965 -1.084 . . . . 0.0 111.653 173.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.0 -35.48 80.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.722 0.809 . . . . 0.0 112.403 173.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -57.16 -51.17 70.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.646 1.578 . . . . 0.0 110.714 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -63.42 -50.8 68.36 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.257 0.623 . . . . 0.0 111.849 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -33.3 75.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -72.82 -49.3 31.24 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.232 1.013 . . . . 0.0 111.551 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.3 t -59.89 -26.98 66.32 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.631 1.172 . . . . 0.0 112.6 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.27 -21.08 21.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.227 1.411 . . . . 0.0 114.17 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD1' HG22 ' A' ' 35' ' ' VAL . 50.1 m-85 -121.2 5.21 10.29 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.935 1.694 . . . . 0.0 113.136 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -75.15 77.5 2.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.451 1.5 . . . . 0.0 110.739 174.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -62.06 -24.14 66.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.241 1.416 . . . . 0.0 114.791 -172.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -92.46 -13.8 29.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.836 1.254 . . . . 0.0 113.863 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.01 34.21 89.27 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.834 0.731 . . . . 0.0 112.973 -170.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -117.35 6.9 12.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.901 1.68 . . . . 0.0 114.147 -169.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 23.22 60.21 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.889 1.233 . . . . 0.0 114.538 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -142.31 160.93 39.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.846 1.258 . . . . 0.0 113.024 -174.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt -135.15 171.76 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 126.617 1.967 . . . . 0.0 110.605 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -83.35 160.88 21.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 122.272 1.034 . . . . 0.0 112.773 169.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.7 p -62.83 -21.29 65.82 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.419 1.088 . . . . 0.0 113.538 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -83.84 -38.53 21.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.291 0.95 . . . . 0.0 112.91 171.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.42 -20.13 65.48 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.53 5.84 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.795 1.238 . . . . 0.0 111.786 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.03 -27.68 73.05 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.375 -0.828 . . . . 0.0 113.134 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -69.52 -39.84 77.28 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.233 1.013 . . . . 0.0 111.771 172.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG22 ' CD1' ' A' ' 19' ' ' PHE . 48.3 t -63.85 -41.9 94.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 124.076 0.95 . . . . 0.0 110.866 172.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.8 mtp -62.29 -42.72 99.59 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.276 -0.89 . . . . 0.0 112.022 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -62.89 -33.79 76.05 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.233 1.013 . . . . 0.0 112.565 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t -63.72 -28.44 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.937 0.895 . . . . 0.0 112.754 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -87.34 8.84 22.63 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.039 1.735 . . . . 0.0 113.545 170.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.22 2.5 89.15 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.372 1.463 . . . . 0.0 115.48 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -99.66 118.11 35.48 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.048 1.339 . . . . 0.0 110.16 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -104.29 90.27 3.08 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.669 0.788 . . . . 0.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.07 160.19 48.11 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 124.049 3.166 . . . . 0.0 112.931 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -79.5 151.64 30.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 171.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.99 -40.23 97.12 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.14 -1.6 . . . . 0.0 112.947 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.25 72.23 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.805 0.842 . . . . 0.0 112.903 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -68.75 -42.63 77.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.542 1.137 . . . . 0.0 111.482 174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.38 -49.71 76.26 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.664 0.786 . . . . 0.0 110.721 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -58.35 -39.93 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.775 0.83 . . . . 0.0 112.361 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -64.73 -42.47 95.18 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.971 0.909 . . . . 0.0 112.634 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.2 mtm -68.14 -40.77 82.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.4 -0.812 . . . . 0.0 112.101 173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.25 -29.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.237 1.015 . . . . 0.0 111.985 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.9 -26.84 67.73 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.042 1.292 . . . . 0.0 113.251 174.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -90.95 -47.11 7.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.894 0.878 . . . . 0.0 112.321 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.79 -35.5 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.852 1.261 . . . . 0.0 113.144 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -115.85 46.83 1.46 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.251 1.82 . . . . 0.0 111.948 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -26.46 63.38 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -85.42 -5.12 59.32 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.85 1.26 . . . . 0.0 114.326 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.91 39.4 59.27 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.423 1.011 . . . . 0.0 115.3 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.42 -21.85 55.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.992 1.317 . . . . 0.0 113.332 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.46 17.44 76.26 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.832 1.682 . . . . 0.0 113.818 -169.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -139.36 162.13 35.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.564 1.545 . . . . 0.0 113.092 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mt -140.57 136.29 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 126.78 2.032 . . . . 0.0 109.186 -173.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.98 155.62 18.98 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.474 0.709 . . . . 0.0 111.486 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.46 -51.62 19.8 Favored Pre-proline 0 CA--C 1.551 0.987 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.66 -27.91 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.989 1.792 . . . . 0.0 113.804 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.07 -25.39 58.57 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.2 -0.938 . . . . 0.0 112.147 174.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -72.35 -47.03 52.75 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.441 -0.787 . . . . 0.0 110.794 168.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mt -61.93 -31.56 71.89 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.409 -0.807 . . . . 0.0 112.327 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -50.88 -42.94 59.42 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.44 1.496 . . . . 0.0 112.762 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.6 ptp -84.37 -34.17 23.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.234 0.925 . . . . 0.0 113.025 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 79.8 mmm -63.05 -31.62 72.8 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.84 -0.537 . . . . 0.0 111.897 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.43 -44.96 72.88 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.79 0.836 . . . . 0.0 112.375 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -71.02 -47.48 58.46 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.795 1.238 . . . . 0.0 112.049 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.14 -21.26 64.9 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.256 1.422 . . . . 0.0 113.016 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 mmm -88.64 -53.57 4.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.855 1.262 . . . . 0.0 112.99 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.79 2.25 41.02 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 -168.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -139.59 25.19 2.41 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.089 1.515 . . . . 0.0 115.089 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 p -76.57 -21.44 55.62 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.51 -1.368 . . . . 0.0 114.107 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.46 57.26 0.7 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.044 2.137 . . . . 0.0 112.852 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.1 t -78.41 155.93 29.71 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.436 1.894 . . . . 0.0 112.669 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -56.53 -50.45 71.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.061 1.344 . . . . 0.0 113.532 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -70.39 -29.29 65.89 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.038 -1.039 . . . . 0.0 112.43 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -64.46 -46.84 81.35 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.402 -0.811 . . . . 0.0 111.064 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.62 -47.27 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.741 1.216 . . . . 0.0 110.235 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -62.54 -41.97 99.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.763 0.825 . . . . 0.0 112.486 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.69 -44.73 77.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.824 0.85 . . . . 0.0 112.225 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.16 66.88 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 113.528 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.67 -42.74 33.56 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.092 -1.005 . . . . 0.0 111.426 168.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -62.77 -24.35 67.68 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.9 m -70.24 -19.82 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 108' ' ' VAL . 13.3 m-85 -95.26 -22.96 17.46 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 112.978 172.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -59.65 111.56 1.47 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.959 1.304 . . . . 0.0 110.945 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.46 0.83 53.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -173.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -125.94 -15.76 5.8 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.089 1.356 . . . . 0.0 114.264 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.1 8.23 84.98 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.23 1.395 . . . . 0.0 113.722 -169.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -82.14 -1.07 47.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.25 1.82 . . . . 0.0 115.047 -169.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.11 21.44 55.16 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-N 119.673 1.124 . . . . 0.0 113.627 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.57 163.42 34.84 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.101 1.36 . . . . 0.0 111.039 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -130.03 143.7 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.716 2.006 . . . . 0.0 108.369 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 p -68.26 149.69 49.17 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.122 -1.611 . . . . 0.0 111.576 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.945 -1.097 . . . . 0.0 111.952 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.21 90.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.747 0.819 . . . . 0.0 112.286 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.66 -43.55 75.97 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.89 0.876 . . . . 0.0 112.245 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.65 -41.01 72.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.063 0.847 . . . . 0.0 111.275 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -59.77 -40.9 89.75 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.454 1.024 . . . . 0.0 111.648 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.97 -63.17 1.3 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.133 0.573 . . . . 0.0 110.576 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.819 HG23 HD12 ' A' ' 112' ' ' LEU . 12.0 p -64.62 -33.63 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.641 1.11 . . . . 0.0 112.944 -172.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.4 mmt -71.2 -11.56 61.0 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 p -124.39 -2.46 8.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -97.06 -40.32 8.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.833 2.053 . . . . 0.0 111.406 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 108' ' ' VAL . 37.4 mt -123.6 159.38 29.36 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.678 1.591 . . . . 0.0 111.692 -169.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 68.16 -149.46 50.11 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.259 -0.882 . . . . 0.0 114.354 -171.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -71.63 -14.58 62.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.867 1.667 . . . . 0.0 113.623 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.82 107.55 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 128.82 2.848 . . . . 0.0 112.994 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.27 156.46 37.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.884 0.873 . . . . 0.0 112.658 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -66.7 157.05 33.67 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.313 0.645 . . . . 0.0 110.234 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.88 -46.77 71.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.696 1.198 . . . . 0.0 113.971 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -74.54 -27.45 60.52 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.233 -0.917 . . . . 0.0 112.546 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -74.41 -39.89 62.36 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.697 1.199 . . . . 0.0 111.705 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.89 -33.4 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.424 0.69 . . . . 0.0 112.009 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.56 -36.24 80.57 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.675 -1.266 . . . . 0.0 112.009 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -33.19 72.22 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.372 -0.83 . . . . 0.0 112.022 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -64.05 -54.22 37.65 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.508 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.46 -40.05 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.966 . . . . 0.0 111.221 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -54.4 -32.94 58.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.786 1.234 . . . . 0.0 113.938 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -109.82 -25.11 10.51 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.712 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -78.53 -35.53 46.09 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.818 1.647 . . . . 0.0 112.368 177.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -76.85 62.57 2.08 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.964 1.705 . . . . 0.0 111.155 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.9 tp -61.25 -26.28 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.802 1.241 . . . . 0.0 112.923 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.35 -14.47 58.96 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.438 1.095 . . . . 0.0 113.528 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.05 32.89 83.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.907 1.242 . . . . 0.0 114.354 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -136.99 24.13 3.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.061 1.344 . . . . 0.0 113.552 -170.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.93 77.82 Favored Glycine 0 CA--C 1.534 1.244 0 O-C-N 120.629 -1.295 . . . . 0.0 113.994 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -125.01 87.6 2.74 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.758 1.623 . . . . 0.0 108.792 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.712 HG13 ' HB1' ' A' ' 128' ' ' ALA . 16.2 t -63.1 122.0 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 110.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -94.1 97.39 10.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.939 0.876 . . . . 0.0 111.023 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.93 -26.79 65.25 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.933 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.8 -34.91 79.47 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.877 1.217 . . . . 0.0 112.066 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -75.45 -43.25 50.54 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.121 -0.987 . . . . 0.0 111.267 169.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.05 -45.17 93.5 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.403 1.081 . . . . 0.0 113.072 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -58.65 -38.91 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.751 1.159 . . . . 0.0 111.875 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -68.1 -43.06 79.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.569 0.748 . . . . 0.0 112.053 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.8 ttp -64.8 -47.46 78.0 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.533 0.733 . . . . 0.0 112.066 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.28 -25.96 67.11 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.003 1.721 . . . . 0.0 112.679 -173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 78.4 p -100.86 -0.87 36.11 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.215 1.406 . . . . 0.0 114.489 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.27 156.82 33.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.602 1.092 . . . . 0.0 113.574 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.638 1.975 . . . . 0.0 113.375 176.335 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 CA-C-O 119.815 -0.436 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.65 5.49 5.55 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.17 3.247 . . . . 0.0 115.263 -172.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.69 31.88 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-N 119.883 1.22 . . . . 0.0 115.938 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 16.7 m -72.66 -1.12 15.06 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.3 1.44 . . . . 0.0 114.839 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 50.8 tttt -143.01 -36.08 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.056 1.742 . . . . 0.0 113.504 -172.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -51.78 -36.77 48.79 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.325 1.85 . . . . 0.0 114.204 -169.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 62.1 tttp -59.89 -38.84 83.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.225 1.41 . . . . 0.0 113.108 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -83.43 -40.53 19.2 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.74 0.816 . . . . 0.0 112.161 173.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.27 -45.08 72.36 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.425 1.09 . . . . 0.0 111.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 112' ' ' LEU . 41.0 tt0 -66.94 -25.61 66.43 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.9 m -103.44 -28.63 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.656 1.182 . . . . 0.0 112.342 -173.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.4 m -58.52 -38.83 78.56 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.372 1.069 . . . . 0.0 110.635 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.39 -41.92 77.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.508 0.723 . . . . 0.0 110.407 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.3 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.082 -1.011 . . . . 0.0 112.353 -176.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.2 mt -59.65 -42.64 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.143 0.977 . . . . 0.0 110.94 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.2 mt -72.11 -39.69 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.409 1.084 . . . . 0.0 110.982 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.2 -45.62 92.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.692 1.133 . . . . 0.0 111.447 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -58.18 -54.21 49.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.697 1.199 . . . . 0.0 110.739 174.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.97 85.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 46.4 t80 -63.71 -54.5 34.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.409 0.684 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.57 -26.94 66.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.958 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -63.29 -47.83 80.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.854 1.661 . . . . 0.0 110.862 168.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.47 -37.48 86.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.594 0.758 . . . . 0.0 112.053 173.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.18 -34.33 78.14 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.116 -0.99 . . . . 0.0 113.005 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.98 -32.07 71.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.887 0.767 . . . . 0.0 112.093 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -65.64 -42.51 91.35 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.238 0.926 . . . . 0.0 111.747 169.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -70.76 -12.41 61.54 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.852 1.661 . . . . 0.0 113.932 171.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 46.3 mttp 58.89 27.19 15.86 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.705 2.402 . . . . 0.0 114.167 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.1 m -87.53 130.99 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.398 1.079 . . . . 0.0 111.401 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -146.73 149.54 33.61 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.462 1.505 . . . . 0.0 111.698 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 29.4 mmmt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.332 1.453 . . . . 0.0 111.993 170.135 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.67 0.271 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -80.33 -21.26 42.7 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.721 1.208 . . . . 0.0 113.553 175.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -77.1 141.99 39.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.17 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.05 141.52 34.76 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.708 1.203 . . . . 0.0 110.749 169.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 m -85.62 157.46 20.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.101 0.96 . . . . 0.0 109.4 169.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -52.7 -30.74 33.88 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -65.89 -36.34 83.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.414 1.085 . . . . 0.0 112.994 175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -74.43 -45.58 45.56 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.317 0.647 . . . . 0.0 111.042 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.33 -44.93 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.021 0.929 . . . . 0.0 111.057 -176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.98 74.64 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.5 -44.58 67.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 111.482 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -63.95 -34.04 77.07 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.34 0.656 . . . . 0.0 112.395 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -54.34 -49.79 68.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.8 1.64 . . . . 0.0 111.746 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -66.81 -50.46 62.54 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.619 0.767 . . . . 0.0 111.708 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.0 72.83 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -75.25 -48.71 22.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.127 0.876 . . . . 0.0 112.139 175.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.89 -25.28 64.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.09 0.956 . . . . 0.0 112.656 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.85 -21.02 6.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.894 1.678 . . . . 0.0 114.619 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HG12 ' A' ' 35' ' ' VAL . 15.6 m-85 -131.72 11.64 4.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.55 1.54 . . . . 0.0 112.938 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -67.01 126.59 29.64 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.409 -0.807 . . . . 0.0 110.932 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -69.36 -22.63 63.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.605 1.562 . . . . 0.0 115.155 -169.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -142.33 -10.47 0.84 Allowed 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.28 7.76 84.52 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.677 1.132 . . . . 0.0 112.874 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -88.77 1.87 54.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.134 1.774 . . . . 0.0 114.063 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.43 29.77 13.5 Favored Glycine 0 CA--C 1.532 1.156 0 O-C-N 121.199 -0.938 . . . . 0.0 114.445 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 p -139.1 149.45 44.56 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.912 1.356 . . . . 0.0 113.294 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -118.94 169.71 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.304 1.842 . . . . 0.0 110.147 171.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.9 p -83.95 158.61 21.49 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.191 0.996 . . . . 0.0 112.175 169.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -62.67 -22.02 66.16 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.283 1.033 . . . . 0.0 112.815 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.94 -42.54 48.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 112.966 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.01 -15.68 60.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.59 -60.45 2.18 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.732 1.213 . . . . 0.0 112.129 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.63 -26.34 69.71 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 122.038 -0.414 . . . . 0.0 113.402 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -69.0 -40.29 78.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.09 0.956 . . . . 0.0 111.204 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG12 ' CD2' ' A' ' 19' ' ' PHE 0.295 1.8 m -72.45 -31.29 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 121.375 -0.828 . . . . 0.0 112.2 173.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.01 -43.08 99.75 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.096 -1.002 . . . . 0.0 111.331 168.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -64.41 -34.36 77.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.269 1.028 . . . . 0.0 112.365 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 t -61.74 -36.1 80.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.766 0.826 . . . . 0.0 112.176 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.41 7.97 8.62 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.795 1.638 . . . . 0.0 114.158 170.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.31 4.72 89.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.141 1.353 . . . . 0.0 115.786 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -102.47 124.56 48.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.033 1.416 . . . . 0.0 110.472 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -109.87 87.03 5.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 123.938 0.895 . . . . 0.0 111.017 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -70.73 152.77 64.53 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 124.21 3.273 . . . . 0.0 112.907 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -73.08 151.64 41.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.449 1.1 . . . . 0.0 110.373 169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -59.69 -35.13 73.86 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.503 -1.373 . . . . 0.0 112.817 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.51 94.39 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.048 0.939 . . . . 0.0 112.44 173.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.18 -44.28 95.86 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.659 -0.651 . . . . 0.0 111.112 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.42 -48.3 82.17 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 118.37 0.532 . . . . 0.0 111.385 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -62.27 -39.37 92.7 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.464 1.029 . . . . 0.0 112.391 176.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -65.8 -38.49 89.12 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.454 -0.779 . . . . 0.0 113.084 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -70.53 -41.04 73.06 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.453 -0.78 . . . . 0.0 111.633 172.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.526 ' HA ' HG22 ' A' ' 55' ' ' VAL . 54.2 mt -71.91 -22.13 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 121.363 -0.836 . . . . 0.0 112.857 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.95 -29.19 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.044 -1.035 . . . . 0.0 111.35 168.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -89.46 -47.5 7.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.408 1.083 . . . . 0.0 112.706 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 52' ' ' ILE . 16.4 m -76.17 -14.99 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -140.04 52.48 1.68 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.197 0.999 . . . . 0.0 112.612 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.01 -23.66 63.85 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 174.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.67 -16.41 57.33 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.898 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.32 28.94 70.63 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.548 1.071 . . . . 0.0 114.879 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -76.76 -17.38 59.09 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 118.584 1.192 . . . . 0.0 113.798 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.08 16.7 76.12 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.522 1.534 . . . . 0.0 114.587 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.8 p -134.41 159.23 41.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.019 1.327 . . . . 0.0 113.774 -176.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 mt -139.12 137.12 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 127.366 2.266 . . . . 0.0 108.378 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.52 157.29 19.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.956 0.798 . . . . 0.0 111.905 173.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -47.71 -55.67 16.21 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 175.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.04 -21.44 27.59 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 121.975 1.783 . . . . 0.0 113.327 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' HG3' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -70.97 -41.09 71.49 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.712 0.687 . . . . 0.0 111.168 172.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.63 -40.22 94.09 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.362 -0.837 . . . . 0.0 112.634 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.96 -25.04 66.54 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -37.08 78.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.549 0.74 . . . . 0.0 112.817 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.9 ptp -84.29 -33.7 23.92 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.922 -0.486 . . . . 0.0 112.035 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -64.17 -28.77 69.98 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.1 76.84 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -83.03 -45.35 14.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.457 1.503 . . . . 0.0 113.359 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -79.46 -2.33 41.52 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.509 1.923 . . . . 0.0 115.047 -175.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mtm -54.37 149.05 10.68 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.466 1.106 . . . . 0.0 112.753 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -75.36 69.13 2.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.606 1.562 . . . . 0.0 111.869 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -140.28 63.52 1.47 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.528 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.4 p -87.28 16.06 5.68 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.505 1.922 . . . . 0.0 114.923 -169.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -72.08 31.61 0.06 Allowed 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.5 t -64.54 136.58 57.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.651 -1.28 . . . . 0.0 111.926 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -61.39 -41.83 97.76 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.423 1.089 . . . . 0.0 113.211 -172.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.76 -35.84 77.59 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.609 -0.682 . . . . 0.0 111.851 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -68.14 -42.37 80.23 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.956 0.902 . . . . 0.0 111.691 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.94 -45.37 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.011 0.924 . . . . 0.0 110.327 175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -60.58 -44.19 96.48 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.48 1.036 . . . . 0.0 112.425 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -62.92 -42.92 99.95 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.902 0.774 . . . . 0.0 112.569 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.12 68.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.942 1.297 . . . . 0.0 113.632 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.07 -41.95 57.86 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.918 -1.114 . . . . 0.0 112.23 171.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -57.34 -29.3 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -74.79 -12.32 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.5 m-85 -100.47 -22.77 14.91 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.886 1.275 . . . . 0.0 112.978 169.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -59.63 116.21 3.87 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.428 1.091 . . . . 0.0 110.295 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -70.61 -24.94 62.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.45 1.5 . . . . 0.0 114.092 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -125.16 -13.82 6.67 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.967 1.307 . . . . 0.0 114.256 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.22 20.55 78.98 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.255 0.931 . . . . 0.0 112.419 -168.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -84.69 -1.53 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.826 1.65 . . . . 0.0 113.966 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.84 21.12 56.64 Favored Glycine 0 CA--C 1.537 1.416 0 O-C-N 120.946 -1.096 . . . . 0.0 113.928 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.01 166.34 31.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.289 1.436 . . . . 0.0 110.513 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 mt -129.64 138.05 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.504 1.521 . . . . 0.0 109.166 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -65.08 140.3 58.81 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 120.879 -1.138 . . . . 0.0 110.987 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.98 86.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.295 -0.878 . . . . 0.0 112.605 -174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.2 -30.53 71.44 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -75.04 -43.32 54.2 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.379 -0.826 . . . . 0.0 111.821 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.54 -38.97 84.97 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.03 0.832 . . . . 0.0 110.741 174.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttt-85 -62.24 -37.7 86.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.561 0.744 . . . . 0.0 112.247 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -57.96 -64.76 0.8 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.617 0.644 . . . . 0.0 110.298 170.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.695 HG23 HD12 ' A' ' 112' ' ' LEU . 11.3 p -63.22 -39.69 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 118.733 0.697 . . . . 0.0 112.559 -171.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -66.24 -16.38 63.96 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.6 p -115.57 3.18 13.95 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -116.05 -29.93 6.17 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.171 1.388 . . . . 0.0 113.975 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.695 HD12 HG23 ' A' ' 108' ' ' VAL . 23.7 mt -131.82 137.78 48.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.823 1.249 . . . . 0.0 110.026 -172.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.62 -146.56 30.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.9 8.57 1.93 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -168.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 39.88 103.7 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 129.908 3.283 . . . . 0.0 114.332 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.74 142.3 58.48 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.184 -0.947 . . . . 0.0 110.39 169.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.772 0.829 . . . . 0.0 109.975 173.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.0 -51.98 59.9 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.667 -1.271 . . . . 0.0 114.311 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -71.57 -21.71 61.84 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.985 -1.072 . . . . 0.0 113.179 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -78.43 -41.87 31.64 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.674 1.19 . . . . 0.0 111.884 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 p -72.57 -34.36 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 123.919 0.888 . . . . 0.0 110.543 173.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.24 -40.65 94.31 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.542 -0.724 . . . . 0.0 111.285 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -57.81 -39.97 78.85 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.863 0.756 . . . . 0.0 111.462 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.2 ttm -58.95 -54.46 46.89 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.934 170.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.4 mm -58.06 -38.41 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 121.349 1.886 . . . . 0.0 111.713 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -57.35 -27.46 62.27 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.43 -17.75 9.99 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.563 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -81.01 -33.83 33.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.189 2.195 . . . . 0.0 112.429 172.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -81.3 137.88 35.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.429 1.091 . . . . 0.0 111.61 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.8 -39.4 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.199 1.4 . . . . 0.0 112.13 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -143.52 -5.64 0.83 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 95.49 6.86 59.52 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.534 1.54 . . . . 0.0 115.41 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -71.88 -3.64 23.56 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 119.619 1.709 . . . . 0.0 114.407 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.25 26.04 8.51 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.878 1.704 . . . . 0.0 114.209 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -126.92 99.89 5.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.578 1.551 . . . . 0.0 110.671 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.563 HG13 ' HB1' ' A' ' 128' ' ' ALA . 14.0 t -74.58 128.38 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.669 -0.645 . . . . 0.0 110.247 171.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -97.76 99.89 11.25 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.97 0.891 . . . . 0.0 111.007 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -70.06 -25.93 63.77 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.144 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.93 -32.6 72.33 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.904 1.229 . . . . 0.0 112.246 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -75.07 -42.49 56.74 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.348 -0.845 . . . . 0.0 110.518 168.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.92 -43.93 94.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.368 1.067 . . . . 0.0 113.65 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.03 -43.69 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.14 0.976 . . . . 0.0 111.711 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -66.32 -39.14 89.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.373 0.669 . . . . 0.0 111.558 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.1 ttp -64.28 -46.28 84.35 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.633 -0.667 . . . . 0.0 112.665 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.2 mtm -65.41 -43.19 91.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.754 0.706 . . . . 0.0 112.01 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.6 p -80.41 -13.9 58.75 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.287 1.218 . . . . 0.0 114.287 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.24 146.49 43.54 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.325 0.966 . . . . 0.0 112.624 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.171 2.189 . . . . 0.0 113.268 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 CA-C-O 119.233 -0.76 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.77 148.31 71.04 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.661 2.907 . . . . 0.0 113.223 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 76.53 136.45 0.69 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.247 1.403 . . . . 0.0 113.92 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.2 p -77.99 -165.73 0.7 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.184 1.394 . . . . 0.0 112.706 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -7.18 2.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.103 1.361 . . . . 0.0 114.605 169.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -52.82 -31.9 41.39 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.2 1.4 . . . . 0.0 113.204 169.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -59.59 -43.68 93.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.808 1.243 . . . . 0.0 112.367 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -80.45 -38.93 29.09 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.961 0.904 . . . . 0.0 112.024 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -52.02 -44.53 64.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.841 1.256 . . . . 0.0 112.611 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.27 -22.2 62.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -104.38 -30.66 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 124.834 1.253 . . . . 0.0 111.886 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 37.1 m -56.47 -40.34 74.72 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.338 1.455 . . . . 0.0 111.508 169.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.1 -39.69 75.55 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.862 -0.524 . . . . 0.0 110.331 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.37 -43.38 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.084 -1.01 . . . . 0.0 111.377 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.8 mt -55.4 -43.54 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.375 1.07 . . . . 0.0 111.598 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.23 -36.34 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.797 0.839 . . . . 0.0 110.899 175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.17 -43.54 98.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.772 1.169 . . . . 0.0 111.695 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.37 -49.17 78.83 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.925 0.89 . . . . 0.0 110.638 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.42 97.3 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.869 0.867 . . . . 0.0 112.653 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.5 -51.46 42.99 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -66.8 -24.72 66.21 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.49 -0.756 . . . . 0.0 112.877 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -47.09 65.69 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.713 0.805 . . . . 0.0 110.82 168.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 50.9 t80 -60.38 -36.53 78.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.109 0.964 . . . . 0.0 112.949 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.4 mt -52.44 -33.18 42.92 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.276 0.944 . . . . 0.0 112.903 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.36 -28.31 66.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.831 0.852 . . . . 0.0 112.601 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 71.6 mttt -80.69 -31.58 36.18 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.967 1.707 . . . . 0.0 111.456 173.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -8.94 22.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.387 2.275 . . . . 0.0 114.964 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 20.8 pttm -70.28 -13.63 62.25 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 20.3 m -77.9 15.85 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -173.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.34 151.01 42.02 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.014 1.325 . . . . 0.0 112.371 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.438 1.495 . . . . 0.0 112.621 176.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.665 0.269 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -77.97 18.05 0.53 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -58.28 143.01 46.12 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.85 1.26 . . . . 0.0 112.464 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -92.1 146.32 23.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.77 0.828 . . . . 0.0 113.02 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.4 p -76.12 161.99 28.38 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.061 0.944 . . . . 0.0 110.8 168.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.42 -31.89 71.83 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.901 -1.124 . . . . 0.0 112.341 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.64 -44.14 74.82 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.941 0.896 . . . . 0.0 112.148 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.41 -43.62 98.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.268 0.627 . . . . 0.0 111.139 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.61 -44.74 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.782 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.0 75.88 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.501 1.046 . . . . 0.0 113.2 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.7 -46.68 78.09 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.042 -1.036 . . . . 0.0 111.723 173.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -67.18 -34.23 77.08 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.735 -0.603 . . . . 0.0 112.405 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.3 -50.24 73.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.352 1.461 . . . . 0.0 110.917 174.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.77 -51.21 68.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.287 0.635 . . . . 0.0 111.92 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.9 -33.15 75.05 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -74.99 -46.95 31.77 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.242 0.928 . . . . 0.0 111.965 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -61.02 -22.66 64.76 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.509 1.124 . . . . 0.0 112.553 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -55.67 -21.31 17.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.726 1.611 . . . . 0.0 114.354 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.627 ' CD1' HG12 ' A' ' 35' ' ' VAL . 30.2 m-85 -126.08 2.19 7.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.657 1.583 . . . . 0.0 112.945 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -76.22 76.29 3.03 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.559 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -60.48 -26.14 66.57 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -92.98 -11.34 33.45 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.896 1.278 . . . . 0.0 113.717 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.56 30.23 77.33 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.534 -0.729 . . . . 0.0 112.933 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.9 6.09 22.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.089 1.756 . . . . 0.0 113.671 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.45 24.82 55.85 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.838 1.209 . . . . 0.0 114.843 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 p -141.95 159.03 43.05 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.172 1.486 . . . . 0.0 113.825 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.4 pt -132.96 168.49 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 127.015 2.126 . . . . 0.0 110.046 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -79.54 159.29 26.95 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 122.309 1.052 . . . . 0.0 113.049 169.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.31 -26.32 67.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.38 1.072 . . . . 0.0 112.722 170.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.33 -41.35 73.34 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.311 1.044 . . . . 0.0 112.181 172.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.77 -18.06 61.02 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.19 -60.67 2.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.585 1.154 . . . . 0.0 111.623 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.22 -30.17 77.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 122.096 -0.377 . . . . 0.0 113.263 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -64.37 -40.4 95.77 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.014 0.907 . . . . 0.0 111.145 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.627 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.325 1.3 m -74.92 -34.04 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.318 173.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.5 mtp -56.99 -41.11 77.85 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.922 1.692 . . . . 0.0 112.033 169.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -67.44 -22.11 65.52 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.295 1.038 . . . . 0.0 112.889 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -68.75 -34.63 75.92 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.163 0.892 . . . . 0.0 111.815 169.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -78.09 1.85 19.79 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.299 1.04 . . . . 0.0 113.069 168.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.96 82.27 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.561 1.553 . . . . 0.0 115.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.26 120.84 26.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.16 1.48 . . . . 0.0 110.12 172.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -103.94 92.77 4.7 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 123.543 0.737 . . . . 0.0 110.96 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.14 161.07 44.12 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.755 2.97 . . . . 0.0 112.225 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 t -91.73 162.75 14.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.651 0.78 . . . . 0.0 112.692 170.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -63.03 -42.92 99.89 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.692 -1.255 . . . . 0.0 113.052 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.21 78.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.253 0.621 . . . . 0.0 112.325 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.33 -43.2 82.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.1 1.36 . . . . 0.0 111.657 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.0 mt -60.08 -46.57 89.14 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.883 -0.511 . . . . 0.0 111.205 171.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -59.86 -41.52 91.66 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.267 0.627 . . . . 0.0 112.224 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.99 -39.1 93.37 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.032 0.933 . . . . 0.0 113.141 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.9 mtm -72.54 -41.0 66.3 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.065 0.848 . . . . 0.0 112.191 174.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.8 -28.39 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.041 0.937 . . . . 0.0 111.654 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.58 -30.8 68.91 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 119.905 1.23 . . . . 0.0 112.866 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.95 -48.98 7.68 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.134 0.974 . . . . 0.0 112.375 172.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.7 t -67.42 -37.89 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.91 1.284 . . . . 0.0 113.207 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -118.23 51.16 1.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.342 1.857 . . . . 0.0 111.749 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.83 -22.28 62.04 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.08 -1.012 . . . . 0.0 113.4 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -77.42 -16.68 58.69 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.779 1.232 . . . . 0.0 113.897 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.99 29.76 70.5 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.533 1.063 . . . . 0.0 114.574 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -76.56 -22.23 54.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.161 1.384 . . . . 0.0 113.687 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.93 15.38 72.81 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.597 1.57 . . . . 0.0 115.326 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -132.7 162.18 32.06 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.092 1.446 . . . . 0.0 113.987 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 mt -137.7 135.19 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.445 2.298 . . . . 0.0 108.209 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.2 157.16 18.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.207 0.603 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -56.59 9.79 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 117.944 -1.026 . . . . 0.0 113.546 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.39 -23.26 32.67 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 121.865 1.71 . . . . 0.0 113.624 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.5 -36.72 65.8 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.792 0.724 . . . . 0.0 111.568 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -63.72 -40.88 97.83 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.493 -0.754 . . . . 0.0 112.249 172.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.38 -20.79 63.42 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -43.15 97.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.293 0.951 . . . . 0.0 111.872 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.5 ptp -76.81 -35.17 57.77 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.943 -1.098 . . . . 0.0 111.675 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -63.01 -34.53 77.76 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.215 0.606 . . . . 0.0 112.004 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.12 38.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.454 1.102 . . . . 0.0 112.72 173.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -71.49 -29.67 65.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -64.16 -34.67 78.61 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.231 0.923 . . . . 0.0 112.798 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.9 mtm -74.25 -55.1 6.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.042 0.837 . . . . 0.0 111.62 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -98.8 63.91 1.43 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.45 1.5 . . . . 0.0 112.176 -170.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 p30 -80.22 0.93 30.38 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.128 0.971 . . . . 0.0 113.028 169.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.7 p -68.82 162.65 25.94 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.84 2.456 . . . . 0.0 114.55 -170.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -62.4 159.26 15.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.427 1.491 . . . . 0.0 112.613 169.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 t -153.15 154.95 35.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.827 1.651 . . . . 0.0 110.112 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -55.85 -44.87 78.42 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.356 -0.84 . . . . 0.0 112.665 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.96 -32.65 74.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.964 0.905 . . . . 0.0 112.135 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -76.63 -47.57 21.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.804 1.242 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.95 -47.49 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.383 1.473 . . . . 0.0 110.427 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -62.2 -38.89 90.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.108 0.563 . . . . 0.0 112.091 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -75.76 -39.26 57.43 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.12 -36.69 78.03 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.409 1.083 . . . . 0.0 112.286 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.69 -42.25 86.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.018 -1.051 . . . . 0.0 112.254 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -60.64 -25.45 66.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.069 -1.019 . . . . 0.0 113.402 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -66.38 -22.91 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.934 1.694 . . . . 0.0 113.139 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.585 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 11.6 m-85 -99.63 -25.95 14.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.212 1.405 . . . . 0.0 113.429 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -58.8 134.38 56.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.715 1.206 . . . . 0.0 110.299 174.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -62.53 -25.89 68.27 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -153.85 4.95 0.29 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.3 44.47 13.3 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 120.627 -1.295 . . . . 0.0 113.055 -171.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -77.29 -19.06 57.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.282 2.233 . . . . 0.0 113.489 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.06 14.44 54.63 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.275 1.417 . . . . 0.0 114.054 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -151.16 162.02 41.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.363 1.065 . . . . 0.0 112.427 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.3 mt -125.77 154.6 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.482 1.913 . . . . 0.0 109.421 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -75.67 143.22 42.3 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 119.885 -1.759 . . . . 0.0 111.44 169.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.19 -42.02 65.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.718 0.807 . . . . 0.0 112.758 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.33 80.8 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.614 0.766 . . . . 0.0 112.31 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -71.87 -42.94 66.25 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.51 0.724 . . . . 0.0 112.225 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.05 -39.6 75.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.046 0.839 . . . . 0.0 111.125 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -60.87 -40.32 92.54 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.01 0.823 . . . . 0.0 111.931 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.12 -63.31 1.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.809 0.732 . . . . 0.0 110.65 172.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.789 HG23 HD12 ' A' ' 112' ' ' LEU . 12.2 p -65.28 -36.57 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.197 0.908 . . . . 0.0 113.129 -171.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.0 mmt -67.97 -14.76 63.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.4 p -117.69 -2.71 11.37 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.245 1.018 . . . . 0.0 113.715 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -103.27 -38.53 7.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.677 1.591 . . . . 0.0 113.044 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.789 HD12 HG23 ' A' ' 108' ' ' VAL . 32.4 mt -126.84 139.7 52.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.809 1.244 . . . . 0.0 111.426 -168.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.59 -150.7 40.31 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 114.443 0.537 . . . . 0.0 114.443 -176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -78.1 49.2 0.79 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.855 1.662 . . . . 0.0 113.913 -172.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -4.47 108.1 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 130.841 3.657 . . . . 0.0 115.246 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -63.62 148.83 47.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.806 0.842 . . . . 0.0 112.0 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -68.81 161.18 29.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.914 0.886 . . . . 0.0 110.33 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.23 -45.21 80.05 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.695 -1.253 . . . . 0.0 114.262 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -76.05 -27.74 57.39 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.016 -1.053 . . . . 0.0 112.53 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -72.3 -41.8 66.2 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.721 1.608 . . . . 0.0 111.729 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.2 -35.91 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.968 0.907 . . . . 0.0 111.503 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -66.46 -38.12 86.64 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.196 -0.94 . . . . 0.0 111.496 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -56.94 -33.81 67.38 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.086 0.857 . . . . 0.0 112.118 171.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.0 ttm -66.69 -49.31 66.53 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.15 0.58 . . . . 0.0 110.647 173.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.16 -42.63 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.918 0.781 . . . . 0.0 111.026 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -53.41 -34.75 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.801 1.24 . . . . 0.0 113.713 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -107.63 -22.55 12.47 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.03 -31.31 27.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.902 0.881 . . . . 0.0 113.043 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -77.85 64.81 3.16 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.242 1.417 . . . . 0.0 111.593 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.5 pt -62.22 -23.05 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.464 1.106 . . . . 0.0 113.825 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -89.11 -9.62 50.4 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.865 1.266 . . . . 0.0 113.79 174.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.55 17.66 74.87 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.183 1.373 . . . . 0.0 115.794 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -130.62 34.54 4.12 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.061 1.744 . . . . 0.0 113.451 -174.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.24 22.98 66.77 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.238 1.399 . . . . 0.0 114.628 172.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.47 84.41 2.27 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.374 1.469 . . . . 0.0 109.313 -172.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.74 109.88 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.898 1.279 . . . . 0.0 111.125 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -85.67 91.85 8.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 122.289 1.042 . . . . 0.0 110.379 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.402 ' HA ' ' HB3' ' A' ' 141' ' ' PHE . 1.8 p90 -64.81 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.697 -1.138 . . . . 0.0 112.917 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -69.2 -36.43 77.26 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.639 1.109 . . . . 0.0 111.962 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -73.76 -40.23 63.64 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.303 -0.873 . . . . 0.0 110.907 168.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 2.9 t80 -65.08 -41.13 95.31 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.342 1.057 . . . . 0.0 113.62 -176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.53 -41.92 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 119.315 0.961 . . . . 0.0 111.369 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -64.69 -43.56 93.14 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.124 0.57 . . . . 0.0 111.324 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.1 ttp -62.44 -47.69 82.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.589 -0.694 . . . . 0.0 112.526 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.8 mtm -63.09 -37.76 88.49 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.068 0.547 . . . . 0.0 112.056 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 70.4 p -86.28 -22.95 26.52 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.86 51.71 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.634 1.106 . . . . 0.0 113.108 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.249 1.82 . . . . 0.0 110.97 -179.432 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 CA-C-O 119.124 -0.82 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -64.26 162.27 30.8 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.826 3.017 . . . . 0.0 113.41 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 165.55 144.66 4.15 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.016 1.293 . . . . 0.0 112.504 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 15.0 m -72.73 31.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.924 1.69 . . . . 0.0 115.139 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -155.49 -7.34 0.12 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -60.04 -31.58 70.1 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -69.1 -40.42 78.4 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.398 0.999 . . . . 0.0 112.762 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -71.41 -40.96 70.15 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.648 0.658 . . . . 0.0 111.602 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.16 -43.41 78.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.026 1.33 . . . . 0.0 111.69 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 112' ' ' LEU . 44.3 tt0 -64.19 -28.66 69.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.8 m -99.21 -30.41 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.482 1.113 . . . . 0.0 112.178 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.2 m -55.05 -39.79 69.58 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.396 1.078 . . . . 0.0 110.855 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 110.37 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.52 -38.42 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 120.943 -1.098 . . . . 0.0 112.164 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 7.9 mt -58.52 -43.87 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.021 0.929 . . . . 0.0 110.748 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.3 -39.24 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 124.363 1.065 . . . . 0.0 111.075 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -58.31 -45.96 87.02 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.493 1.117 . . . . 0.0 111.871 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -67.84 -44.34 77.43 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.17 0.988 . . . . 0.0 111.544 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.38 81.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.463 0.705 . . . . 0.0 112.801 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -66.55 -52.31 47.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.221 0.608 . . . . 0.0 112.216 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -63.76 -34.1 77.14 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.047 -1.033 . . . . 0.0 112.298 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -59.74 -36.55 76.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.867 1.212 . . . . 0.0 111.69 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.02 -41.52 70.76 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 171.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.08 -38.1 78.66 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.465 -0.772 . . . . 0.0 111.89 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.22 -36.74 83.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.982 0.913 . . . . 0.0 112.446 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -64.12 -39.0 93.09 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.605 1.093 . . . . 0.0 112.401 170.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -67.21 -39.11 86.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.771 0.828 . . . . 0.0 112.955 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.25 -50.0 15.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.737 1.215 . . . . 0.0 113.17 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 18.7 t -89.04 69.61 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 0.0 110.326 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.1 151.4 45.52 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.735 1.214 . . . . 0.0 111.934 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 28.7 tptp . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.33 1.452 . . . . 0.0 112.305 177.044 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -124.0 -11.6 7.57 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.087 . . . . 0.0 113.591 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -73.34 146.76 44.99 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.13 0.972 . . . . 0.0 112.007 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -94.09 142.55 27.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.719 1.207 . . . . 0.0 111.842 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 m -71.16 153.72 42.27 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.715 1.206 . . . . 0.0 110.397 170.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -54.8 -34.56 62.87 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.848 -1.157 . . . . 0.0 113.891 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -70.39 -38.77 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.844 0.858 . . . . 0.0 112.421 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -64.18 -47.11 81.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.723 0.809 . . . . 0.0 110.166 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.01 -46.31 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.153 0.981 . . . . 0.0 110.808 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.24 74.36 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.595 1.089 . . . . 0.0 113.284 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -68.38 -44.4 75.24 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.967 -1.083 . . . . 0.0 111.509 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -63.05 -37.29 86.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.568 -0.707 . . . . 0.0 112.074 171.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -60.18 -46.8 88.49 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.34 1.456 . . . . 0.0 110.608 176.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.99 -45.25 93.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.911 0.884 . . . . 0.0 112.379 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.29 96.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -75.75 -46.6 30.02 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.821 0.737 . . . . 0.0 112.594 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.3 p -63.75 -17.09 62.68 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.8 -20.73 37.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.301 1.44 . . . . 0.0 113.967 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CD1' HG12 ' A' ' 35' ' ' VAL . 28.6 m-85 -126.4 -2.42 6.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.627 1.571 . . . . 0.0 113.083 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -78.29 71.4 4.76 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.967 -1.083 . . . . 0.0 110.641 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -27.56 55.67 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -174.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.96 -18.67 26.96 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.498 1.119 . . . . 0.0 113.911 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.01 13.63 75.98 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.042 0.83 . . . . 0.0 114.184 -170.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -83.26 -2.13 54.85 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.508 1.523 . . . . 0.0 114.033 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.9 25.1 39.03 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.66 1.124 . . . . 0.0 114.273 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -140.84 158.49 43.89 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 119.24 1.52 . . . . 0.0 114.138 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -132.42 171.71 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.845 2.058 . . . . 0.0 110.68 171.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.0 p -87.34 155.37 20.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.242 1.02 . . . . 0.0 112.967 170.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.48 -30.81 68.8 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 0.0 112.668 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -70.23 -28.18 65.06 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -82.05 -17.14 47.73 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.843 1.257 . . . . 0.0 113.578 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.51 -60.26 2.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.672 1.189 . . . . 0.0 111.436 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.5 -25.59 71.5 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 121.966 -0.459 . . . . 0.0 113.673 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.46 -43.03 82.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.912 0.885 . . . . 0.0 110.896 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.287 1.4 m -73.79 -28.49 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.899 173.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.3 mtp -62.46 -40.78 97.74 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.971 1.714 . . . . 0.0 111.863 169.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -59.22 -29.51 67.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.639 0.775 . . . . 0.0 112.51 172.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -66.89 -20.56 65.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.5 -1.03 57.88 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.963 1.305 . . . . 0.0 112.604 168.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.95 90.21 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.054 1.311 . . . . 0.0 114.636 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -92.23 120.96 33.3 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.736 1.268 . . . . 0.0 109.88 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.44 77.37 4.26 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 121.142 -0.974 . . . . 0.0 110.687 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -63.81 153.23 76.73 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.57 2.847 . . . . 0.0 112.759 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.1 m -78.68 152.28 31.73 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.304 1.041 . . . . 0.0 111.163 169.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -56.57 -36.65 69.56 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.893 -1.129 . . . . 0.0 113.825 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.551 0.74 . . . . 0.0 112.802 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -68.73 -45.11 72.35 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.411 0.685 . . . . 0.0 110.912 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.2 mt -58.2 -47.88 82.08 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.302 0.641 . . . . 0.0 111.3 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -63.26 -39.21 93.97 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.86 -42.54 97.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.971 0.805 . . . . 0.0 112.15 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.11 -39.68 93.46 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.487 -0.758 . . . . 0.0 111.948 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.03 -31.4 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.427 -0.796 . . . . 0.0 111.994 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.69 -28.55 69.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 120.352 1.433 . . . . 0.0 112.807 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -80.59 -47.25 14.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.576 0.75 . . . . 0.0 112.244 170.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 t -73.93 -49.31 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.826 1.251 . . . . 0.0 113.462 -174.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -95.66 48.43 1.14 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 112.104 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -24.27 65.31 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.077 -1.014 . . . . 0.0 113.265 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -78.76 -13.19 59.95 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.868 1.267 . . . . 0.0 113.942 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.02 73.41 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.717 1.151 . . . . 0.0 114.782 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -81.32 -15.69 54.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.744 1.217 . . . . 0.0 113.821 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.92 20.32 76.22 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.737 1.16 . . . . 0.0 114.379 -176.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.5 p -135.03 160.04 39.59 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.88 1.272 . . . . 0.0 113.858 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.3 mt -139.86 133.98 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.198 2.199 . . . . 0.0 108.41 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 155.9 19.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.974 170.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -47.37 -54.55 21.02 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.21 -23.55 33.19 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.106 1.871 . . . . 0.0 113.496 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.77 -36.73 65.12 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.489 -0.757 . . . . 0.0 111.549 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -62.48 -41.04 98.52 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.442 -0.786 . . . . 0.0 111.755 171.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.34 -21.62 64.18 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -35.88 77.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.085 0.857 . . . . 0.0 112.551 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.6 ptp -84.51 -33.13 23.61 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.3 0.5 . . . . 0.0 112.101 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.81 -18.87 65.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.296 1.039 . . . . 0.0 113.423 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.4 66.98 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 118.928 0.785 . . . . 0.0 112.768 168.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -105.86 -53.86 2.57 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.311 1.844 . . . . 0.0 112.491 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -74.5 36.37 0.1 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.803 2.441 . . . . 0.0 113.2 175.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 ttm -71.36 65.07 0.41 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.301 1.84 . . . . 0.0 115.086 -168.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.296 21.2 ptmt 53.6 -23.36 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 131.58 3.952 . . . . 0.0 118.113 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 50.57 43.28 27.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.926 2.09 . . . . 0.0 114.067 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -70.05 113.43 7.25 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.319 -0.863 . . . . 0.0 110.39 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -75.04 131.95 40.96 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.803 1.641 . . . . 0.0 112.857 -173.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.0 t -88.06 114.93 25.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.542 1.137 . . . . 0.0 113.429 -170.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.47 -48.65 76.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.378 1.071 . . . . 0.0 113.826 -172.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -66.08 -32.99 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.577 -0.702 . . . . 0.0 112.032 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -47.46 76.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.689 0.796 . . . . 0.0 111.042 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.02 -47.25 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 124.628 1.171 . . . . 0.0 110.947 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG2' HG11 ' A' ' 142' ' ' VAL . 78.6 mtt-85 -56.97 -46.9 81.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.195 0.907 . . . . 0.0 111.799 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -70.63 -40.25 73.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.528 0.604 . . . . 0.0 112.557 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.78 -35.74 79.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.824 0.849 . . . . 0.0 112.756 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.95 -43.92 77.95 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.148 -0.97 . . . . 0.0 112.159 170.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -59.28 -27.98 66.34 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.967 0.907 . . . . 0.0 113.005 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.7 t -60.3 -32.76 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.269 1.428 . . . . 0.0 112.583 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 15.6 m-85 -93.79 -9.9 35.96 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -59.34 113.55 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.479 1.036 . . . . 0.0 110.54 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.7 tttt -77.66 -18.57 56.55 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.146 1.378 . . . . 0.0 114.251 -169.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -123.05 -11.47 8.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.24 1.416 . . . . 0.0 114.204 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 31.78 68.06 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.381 0.991 . . . . 0.0 112.355 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -113.62 8.22 17.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.685 1.594 . . . . 0.0 114.594 -168.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.35 23.27 61.11 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.84 -1.163 . . . . 0.0 114.3 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -150.51 169.0 22.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.679 1.591 . . . . 0.0 110.171 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -129.96 139.32 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.556 1.542 . . . . 0.0 109.051 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -67.03 140.32 57.67 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.698 -1.252 . . . . 0.0 111.007 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.17 89.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.948 -1.095 . . . . 0.0 112.959 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.78 -31.47 72.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.516 0.726 . . . . 0.0 112.87 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -73.11 -42.3 63.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 111.737 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -68.63 -41.69 79.11 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.486 0.584 . . . . 0.0 110.832 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -60.01 -39.68 86.64 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.945 0.793 . . . . 0.0 112.058 172.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -56.66 -63.33 1.24 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.961 0.8 . . . . 0.0 110.644 171.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.932 HG23 HD12 ' A' ' 112' ' ' LEU . 14.6 p -63.51 -36.83 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.053 0.842 . . . . 0.0 112.776 -172.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.8 mmt -68.0 -14.79 63.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -120.46 -3.12 9.92 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.499 1.12 . . . . 0.0 113.882 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -99.2 -33.94 10.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.438 1.895 . . . . 0.0 112.64 173.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.932 HD12 HG23 ' A' ' 108' ' ' VAL . 25.6 mt -128.28 160.84 30.9 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.421 1.488 . . . . 0.0 111.123 -169.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.79 -141.28 32.97 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.688 0.605 . . . . 0.0 114.324 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.55 -18.0 61.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.027 1.331 . . . . 0.0 112.742 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? 62.24 106.57 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.424 2.689 . . . . 0.0 112.745 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.51 153.47 42.85 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.705 0.802 . . . . 0.0 111.822 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.86 159.86 27.33 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.735 0.814 . . . . 0.0 110.65 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -55.07 -41.41 71.49 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.891 1.276 . . . . 0.0 114.153 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.72 -32.17 35.83 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.294 -0.879 . . . . 0.0 112.477 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -65.83 -41.74 91.4 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.202 -0.936 . . . . 0.0 111.343 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.91 -34.42 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.252 -0.905 . . . . 0.0 112.559 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -69.98 -34.33 73.23 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.977 -1.077 . . . . 0.0 112.36 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.77 -25.9 68.39 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 112.486 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -68.38 -55.23 12.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.554 0.616 . . . . 0.0 109.751 170.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.25 -34.67 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.575 0.625 . . . . 0.0 111.429 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -49.16 -42.56 40.07 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.111 1.365 . . . . 0.0 113.11 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -42.93 9.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.337 0.655 . . . . 0.0 111.844 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -68.16 -37.4 80.97 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.997 1.719 . . . . 0.0 113.327 -168.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -80.37 82.5 6.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.362 1.465 . . . . 0.0 111.325 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.9 mm -57.72 -38.27 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.136 1.374 . . . . 0.0 112.466 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.63 -19.28 38.59 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.47 11.03 76.24 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.025 0.822 . . . . 0.0 114.091 -169.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -110.01 26.92 10.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.842 2.057 . . . . 0.0 112.761 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.1 27.19 70.7 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.13 1.348 . . . . 0.0 114.17 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.49 86.17 2.52 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.178 1.391 . . . . 0.0 109.915 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.624 HG13 ' HB1' ' A' ' 128' ' ' ALA . 25.4 t -64.45 120.63 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 O-C-N 121.815 -0.553 . . . . 0.0 110.047 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -97.72 90.0 4.83 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 122.42 1.105 . . . . 0.0 110.87 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -61.62 -28.51 69.42 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.509 -1.223 . . . . 0.0 113.501 -174.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -65.4 -26.44 67.99 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.129 0.877 . . . . 0.0 112.534 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.59 -41.95 15.92 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.138 0.975 . . . . 0.0 111.246 168.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.71 -41.15 98.99 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.093 0.957 . . . . 0.0 113.145 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.443 HG11 ' HG2' ' A' ' 86' ' ' ARG . 12.6 p -59.73 -42.4 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.543 1.137 . . . . 0.0 112.201 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -66.57 -38.59 87.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.981 0.912 . . . . 0.0 111.727 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.0 ttp -67.82 -45.66 74.07 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.853 0.861 . . . . 0.0 112.348 175.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.5 -48.06 81.25 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.05 0.54 . . . . 0.0 111.874 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.8 p -77.52 7.38 5.57 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.21 152.83 16.32 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.194 -0.941 . . . . 0.0 112.391 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.553 1.541 . . . . 0.0 113.121 -174.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 CA-C-O 118.801 -0.999 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.37 136.48 59.74 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.721 2.28 . . . . 0.0 111.241 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 77.96 -9.02 33.76 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.63 1.109 . . . . 0.0 115.782 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.7 m -69.38 -5.17 21.79 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.898 1.849 . . . . 0.0 114.971 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.03 -23.79 55.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.381 2.273 . . . . 0.0 113.375 169.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -42.12 -42.76 3.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.693 2.397 . . . . 0.0 113.319 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.52 -40.12 68.3 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.987 1.315 . . . . 0.0 113.485 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -88.9 -40.02 13.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.173 0.989 . . . . 0.0 112.575 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.27 -46.47 85.98 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.771 1.228 . . . . 0.0 112.239 -175.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.504 ' HA ' HD13 ' A' ' 112' ' ' LEU . 54.0 tt0 -66.8 -26.2 66.83 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.8 m -98.4 -31.75 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.285 1.034 . . . . 0.0 112.316 -173.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 55.5 m -57.3 -40.41 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.576 1.15 . . . . 0.0 110.848 170.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.17 81.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 0.0 110.351 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.05 -39.52 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.0 0.92 . . . . 0.0 111.965 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 14.8 mt -59.19 -44.72 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.549 1.139 . . . . 0.0 111.339 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.19 -37.73 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.052 0.941 . . . . 0.0 110.095 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -63.64 -33.8 76.43 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.093 -1.004 . . . . 0.0 112.824 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -65.49 -54.4 28.77 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.943 0.792 . . . . 0.0 110.603 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.32 78.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.331 1.053 . . . . 0.0 113.008 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.26 -53.29 46.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.22 -26.85 61.3 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.92 -1.113 . . . . 0.0 111.818 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . 0.404 ' HG3' ' HE3' ' B' 1922 ' ' LYS . 32.5 tpt85 -61.5 -40.87 96.16 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.76 0.709 . . . . 0.0 110.944 169.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.22 -41.28 85.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.987 0.915 . . . . 0.0 112.963 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.83 -40.7 69.85 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.655 0.661 . . . . 0.0 111.204 172.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.71 -39.11 93.5 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.402 0.681 . . . . 0.0 112.691 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . 0.404 ' HE3' ' HG3' ' B' 1918 ' ' ARG . 78.4 mttt -64.55 -38.17 90.1 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.528 1.131 . . . . 0.0 112.875 175.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -82.38 -21.27 35.94 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 64.9 tttm -71.44 -42.64 67.97 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.863 1.265 . . . . 0.0 111.87 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 26.0 t -138.71 116.22 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.744 1.218 . . . . 0.0 110.05 171.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -77.01 170.89 15.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.15 1.38 . . . . 0.0 113.659 -173.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 63.6 mtpt . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.276 1.83 . . . . 0.0 111.63 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.479 0.657 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -102.15 14.64 31.39 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -171.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.33 160.06 20.77 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.386 1.075 . . . . 0.0 113.599 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 mt -138.23 158.49 44.19 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 129.379 3.072 . . . . 0.0 110.477 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 p -73.8 161.37 30.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 0.0 110.3 168.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -59.34 -34.67 72.64 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.091 -1.006 . . . . 0.0 111.764 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -64.56 -46.67 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.85 1.26 . . . . 0.0 112.128 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.35 -37.88 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.042 0.837 . . . . 0.0 112.493 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.4 mt -64.72 -45.06 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.017 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.31 74.92 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.504 1.047 . . . . 0.0 113.006 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.1 -47.92 82.49 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.27 -0.894 . . . . 0.0 111.382 171.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -70.13 -34.4 73.02 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.179 0.592 . . . . 0.0 112.462 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -54.49 -51.08 66.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.619 1.568 . . . . 0.0 110.944 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.38 -53.5 51.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.233 0.613 . . . . 0.0 111.656 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.18 72.28 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -74.59 -49.13 22.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.901 0.88 . . . . 0.0 111.597 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.8 t -61.21 -26.5 67.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 112.396 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.85 -22.61 26.05 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.398 1.479 . . . . 0.0 114.047 172.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD2' HG22 ' A' ' 35' ' ' VAL . 43.7 m-85 -119.04 2.77 11.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.981 1.712 . . . . 0.0 113.169 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -74.82 69.11 1.81 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.045 1.338 . . . . 0.0 110.662 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -66.22 -18.68 65.5 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.15 1.38 . . . . 0.0 114.382 -174.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -86.97 -21.35 26.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.677 1.191 . . . . 0.0 113.621 173.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.89 77.02 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.665 1.126 . . . . 0.0 114.207 -174.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -100.22 -1.0 37.58 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.808 1.643 . . . . 0.0 114.586 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.77 25.03 57.2 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.054 -1.029 . . . . 0.0 113.528 -173.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.9 p -142.1 161.23 38.52 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.273 1.429 . . . . 0.0 112.612 -172.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 pt -134.61 173.13 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.285 1.834 . . . . 0.0 110.588 172.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.5 p -85.43 158.24 20.26 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 122.262 1.029 . . . . 0.0 112.638 169.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.44 ' HB ' HD13 ' A' ' 52' ' ' ILE . 36.8 p -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.434 1.094 . . . . 0.0 112.369 170.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.89 -44.51 63.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.709 1.204 . . . . 0.0 112.565 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.53 -13.95 60.74 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.29 -58.2 4.91 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.807 1.243 . . . . 0.0 111.617 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -27.92 73.24 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 121.356 -0.84 . . . . 0.0 113.196 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -67.91 -41.3 82.89 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.394 1.097 . . . . 0.0 111.388 172.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 19' ' ' PHE . 55.3 t -64.86 -40.47 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.595 1.158 . . . . 0.0 111.116 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.5 mtp -62.38 -45.03 95.0 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 111.892 172.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -64.22 -30.94 71.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.181 0.993 . . . . 0.0 112.638 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -63.76 -29.41 70.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.124 0.97 . . . . 0.0 112.769 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -86.19 7.39 25.27 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.854 1.661 . . . . 0.0 113.37 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.7 86.05 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.457 1.504 . . . . 0.0 115.357 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -94.96 116.83 29.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.683 1.242 . . . . 0.0 110.294 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -102.41 94.58 5.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 O-C-N 121.491 -0.756 . . . . 0.0 110.863 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.1 156.91 55.17 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 124.404 3.403 . . . . 0.0 113.368 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.7 m -74.94 147.04 41.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 110.533 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.51 -35.71 81.35 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.371 -1.455 . . . . 0.0 113.292 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -32.51 72.33 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.34 -43.57 69.98 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.611 0.764 . . . . 0.0 111.222 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.5 mt -56.66 -47.72 79.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.568 0.747 . . . . 0.0 111.176 171.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.0 -42.53 90.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.366 0.667 . . . . 0.0 112.117 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.21 -44.62 87.73 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.761 0.824 . . . . 0.0 112.549 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 72.2 mtm -64.63 -39.72 94.21 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.44 HD13 ' HB ' ' A' ' 29' ' ' THR . 61.5 mt -69.61 -31.8 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.444 -0.785 . . . . 0.0 111.427 175.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.4 -29.16 69.83 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 120.451 1.478 . . . . 0.0 112.887 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -74.97 -48.25 25.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.174 0.897 . . . . 0.0 111.93 169.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.5 t -77.43 -49.77 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -172.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -96.58 50.6 1.14 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.428 1.491 . . . . 0.0 112.265 -176.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.88 65.29 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.151 -0.968 . . . . 0.0 113.178 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.01 -13.76 59.59 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.908 1.283 . . . . 0.0 113.95 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.84 72.88 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.698 1.142 . . . . 0.0 114.791 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.97 -15.82 56.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.642 1.177 . . . . 0.0 113.916 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.34 18.34 74.19 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.921 1.248 . . . . 0.0 114.383 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.3 p -134.44 160.29 38.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.051 1.34 . . . . 0.0 113.787 -173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -139.9 136.5 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.051 2.14 . . . . 0.0 109.423 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.57 158.15 16.6 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.313 0.645 . . . . 0.0 111.622 171.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -41.95 -53.35 8.27 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.43 -28.86 26.34 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.878 1.718 . . . . 0.0 114.222 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.52 -31.94 67.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.208 -0.933 . . . . 0.0 112.418 173.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.81 -47.1 70.02 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.555 -0.716 . . . . 0.0 111.104 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -31.77 73.1 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.154 -0.966 . . . . 0.0 112.197 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -51.93 -52.37 50.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.738 1.615 . . . . 0.0 112.069 169.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.9 ptp -75.49 -32.41 60.56 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.658 -0.651 . . . . 0.0 112.239 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.2 mmm -66.9 -39.92 87.58 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.803 -0.561 . . . . 0.0 111.71 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.61 -43.67 97.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.583 -0.698 . . . . 0.0 111.903 169.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.97 -43.39 91.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.482 1.113 . . . . 0.0 112.289 176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -64.86 -43.42 93.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.668 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.7 mmm -71.49 -45.79 61.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.421 1.089 . . . . 0.0 113.122 -175.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.99 107.2 2.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.641 1.176 . . . . 0.0 112.961 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.64 -13.29 60.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.732 1.213 . . . . 0.0 112.758 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.9 p -69.26 167.56 16.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.595 1.958 . . . . 0.0 113.75 -172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.39 157.75 3.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.127 1.771 . . . . 0.0 112.973 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -146.02 158.51 43.87 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.111 1.765 . . . . 0.0 109.37 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 tm-20 -60.88 -38.24 84.97 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.461 -0.775 . . . . 0.0 112.76 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.8 -45.26 93.47 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.196 0.998 . . . . 0.0 111.597 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.99 -46.53 84.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.808 1.243 . . . . 0.0 111.548 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.52 -47.63 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.439 1.496 . . . . 0.0 110.479 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -68.12 -35.19 77.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -65.76 -47.38 75.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.484 1.114 . . . . 0.0 111.652 169.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.21 -26.11 67.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.797 1.239 . . . . 0.0 113.965 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.34 -41.0 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.928 -1.108 . . . . 0.0 112.436 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -61.2 -26.35 67.66 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 m -72.29 -15.27 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -98.49 -25.24 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.899 1.28 . . . . 0.0 113.071 171.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.52 101.85 0.28 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.513 1.125 . . . . 0.0 110.754 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -75.17 -17.12 60.45 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -110.64 -17.56 13.37 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.071 1.348 . . . . 0.0 113.789 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.27 16.5 78.7 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 125.04 1.305 . . . . 0.0 113.917 -172.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -95.43 2.71 54.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.319 1.448 . . . . 0.0 114.775 -169.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.29 20.06 59.52 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 119.661 1.119 . . . . 0.0 114.385 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -146.15 162.76 37.27 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.501 1.52 . . . . 0.0 109.777 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.6 mt -120.75 150.69 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 125.736 1.614 . . . . 0.0 108.953 174.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.9 m -75.31 139.56 42.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.42 -1.425 . . . . 0.0 111.232 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.39 -42.08 81.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.163 -0.961 . . . . 0.0 112.85 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.0 -29.69 70.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -74.69 -43.11 56.81 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.39 -0.819 . . . . 0.0 111.852 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.452 ' HA ' HG22 ' A' ' 108' ' ' VAL . 10.7 tp -69.55 -37.22 76.96 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.149 0.886 . . . . 0.0 111.415 173.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -62.84 -35.3 79.49 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.139 0.881 . . . . 0.0 111.805 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -62.39 -65.28 0.71 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.608 169.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.5 m -56.25 -40.35 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 121.079 1.763 . . . . 0.0 112.733 -174.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 32.9 mmt -75.87 -14.35 60.28 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -173.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.3 p -117.44 -4.31 11.32 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.486 1.114 . . . . 0.0 113.473 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -101.82 -28.73 12.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.0 1.72 . . . . 0.0 113.352 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.95 142.54 47.74 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.128 1.371 . . . . 0.0 110.753 -169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.19 -147.15 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 114.896 0.719 . . . . 0.0 114.896 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.65 44.1 0.52 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.704 1.602 . . . . 0.0 113.598 -175.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -3.51 108.17 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 131.211 3.804 . . . . 0.0 114.948 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.57 143.25 56.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 m -66.32 161.21 22.89 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.573 1.149 . . . . 0.0 110.867 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -48.72 -46.98 41.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.83 1.652 . . . . 0.0 114.657 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -84.6 -23.79 29.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.07 0.948 . . . . 0.0 113.106 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -72.76 -41.45 65.06 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.25 1.42 . . . . 0.0 111.71 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.02 -35.75 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.493 0.717 . . . . 0.0 111.088 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -64.93 -39.73 93.97 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.705 -0.622 . . . . 0.0 111.441 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -59.12 -37.4 77.14 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 0.0 111.429 170.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 ttm -67.39 -40.97 85.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.958 174.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -63.35 -44.54 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.011 1.278 . . . . 0.0 110.34 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mtp85 -57.31 -38.93 74.77 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.949 1.299 . . . . 0.0 112.68 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -47.12 49.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.894 1.277 . . . . 0.0 112.898 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.14 -28.17 22.64 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -168.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -74.9 59.98 0.94 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.4 -30.58 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 126.911 2.084 . . . . 0.0 111.267 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -75.71 -11.26 59.96 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.685 1.194 . . . . 0.0 113.707 172.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.03 3.8 61.32 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 126.185 1.85 . . . . 0.0 116.638 170.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -124.25 35.49 4.81 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.429 1.891 . . . . 0.0 112.77 -169.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.39 27.88 68.89 Favored Glycine 0 CA--C 1.535 1.312 0 O-C-N 121.055 -1.028 . . . . 0.0 113.538 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.17 86.33 2.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.252 1.821 . . . . 0.0 108.693 -171.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 m -68.95 104.09 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.642 1.177 . . . . 0.0 110.817 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -84.72 82.7 8.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 122.145 0.974 . . . . 0.0 111.311 -169.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.61 ' O ' HG23 ' A' ' 142' ' ' VAL . 6.0 p90 -61.3 -29.63 69.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.77 -170.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.28 -39.53 90.76 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.776 1.626 . . . . 0.0 112.555 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -81.18 -33.47 33.0 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.474 0.71 . . . . 0.0 112.088 171.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -61.7 -40.63 95.69 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.403 -0.811 . . . . 0.0 112.38 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 138' ' ' TYR . 94.6 t -51.12 -60.4 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.54 1.136 . . . . 0.0 109.174 174.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.08 -23.67 60.57 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.622 -167.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.3 ttp -70.52 -46.58 63.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.518 1.127 . . . . 0.0 111.31 168.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.9 ttp -65.86 -33.61 76.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.641 1.176 . . . . 0.0 112.139 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.7 p -87.31 5.77 36.76 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.936 1.694 . . . . 0.0 115.126 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.97 165.16 5.75 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.827 1.651 . . . . 0.0 112.972 -179.407 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 CA-C-O 118.667 -1.074 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.58 146.5 73.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.509 2.806 . . . . 0.0 112.596 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 75.71 -77.31 1.28 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.556 1.074 . . . . 0.0 112.84 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 74.1 p -160.48 175.46 12.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.391 1.477 . . . . 0.0 111.875 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 19.1 pttp -62.93 -13.03 29.57 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 174.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 -54.89 -28.13 48.08 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.591 1.557 . . . . 0.0 113.983 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.58 -38.71 84.43 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.932 1.293 . . . . 0.0 112.86 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -84.12 -33.91 24.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.124 1.37 . . . . 0.0 112.545 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -51.03 -46.06 61.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.048 1.739 . . . . 0.0 113.059 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -69.89 -26.47 64.19 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 4.2 m -96.77 -29.85 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.369 1.068 . . . . 0.0 111.8 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 36.7 m -58.82 -40.77 85.12 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.701 1.201 . . . . 0.0 110.848 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.88 83.77 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.726 -0.609 . . . . 0.0 110.328 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.77 -43.55 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.624 -0.672 . . . . 0.0 111.441 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 11.8 mt -57.54 -43.56 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.788 0.835 . . . . 0.0 111.668 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.8 mt -68.99 -35.69 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.662 0.785 . . . . 0.0 110.468 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.39 -41.81 98.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.993 -1.067 . . . . 0.0 112.441 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -58.32 -49.06 78.53 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.198 0.999 . . . . 0.0 110.302 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.13 85.34 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.616 1.166 . . . . 0.0 113.059 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 48.4 t80 -69.84 -44.76 69.25 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.439 -0.788 . . . . 0.0 113.089 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -62.9 -26.82 68.98 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.143 -0.973 . . . . 0.0 112.246 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -47.46 86.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.379 1.072 . . . . 0.0 110.88 169.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -68.79 -34.83 76.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.235 1.014 . . . . 0.0 113.038 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 51.5 mt -55.46 -35.01 65.03 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.391 -0.818 . . . . 0.0 112.471 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.83 -40.41 54.93 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.136 0.974 . . . . 0.0 112.192 170.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -56.56 -32.9 65.61 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.058 1.343 . . . . 0.0 113.228 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -59.38 -38.41 80.45 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 171.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -88.73 -39.34 14.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.497 1.119 . . . . 0.0 113.389 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.9 p -67.17 139.79 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.032 0.933 . . . . 0.0 111.843 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 23.0 pttp -145.04 30.8 1.14 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.162 1.385 . . . . 0.0 113.833 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.3 tptt . . . . . 0 C--O 1.25 1.109 0 C-N-CA 126.058 1.743 . . . . 0.0 112.175 178.509 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -86.67 -11.3 51.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.01 1.324 . . . . 0.0 114.361 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.24 145.58 56.05 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.21 -0.931 . . . . 0.0 112.73 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -87.03 147.93 25.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.134 0.973 . . . . 0.0 111.871 174.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 p -72.28 160.66 32.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.745 0.818 . . . . 0.0 111.266 170.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.42 -30.09 69.4 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.79 -1.194 . . . . 0.0 112.702 175.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.0 -45.19 64.41 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.168 0.987 . . . . 0.0 111.948 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -60.89 -45.46 94.49 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.47 -45.64 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.54 74.19 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.973 1.26 . . . . 0.0 113.17 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -65.68 -44.97 84.61 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.085 -1.01 . . . . 0.0 111.658 173.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -66.51 -36.45 82.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.733 0.813 . . . . 0.0 112.272 172.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -56.88 -49.43 75.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.257 1.423 . . . . 0.0 110.327 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.1 -54.46 41.02 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.466 0.706 . . . . 0.0 111.748 175.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.05 74.82 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -72.91 -49.78 27.61 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.919 . . . . 0.0 111.419 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -61.54 -25.93 67.62 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.416 1.086 . . . . 0.0 112.725 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.35 -22.86 21.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.404 1.482 . . . . 0.0 114.002 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' HG22 ' A' ' 35' ' ' VAL . 40.5 m-85 -118.29 0.74 11.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.106 1.762 . . . . 0.0 112.662 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -81.98 90.1 6.46 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.721 -1.237 . . . . 0.0 110.271 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -23.57 66.13 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.83 -21.69 16.79 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 10.77 86.07 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.72 1.152 . . . . 0.0 114.241 -175.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -87.34 1.74 52.37 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.671 1.235 . . . . 0.0 114.072 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 30.68 28.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.19 1.376 . . . . 0.0 114.386 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -138.35 160.85 38.45 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.823 1.312 . . . . 0.0 114.258 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 pt -137.83 171.33 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.229 2.212 . . . . 0.0 110.639 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.8 p -82.51 159.3 22.87 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.365 1.078 . . . . 0.0 112.855 169.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.432 ' HB ' HD13 ' A' ' 52' ' ' ILE . 24.3 p -59.59 -29.48 67.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.543 1.137 . . . . 0.0 112.551 169.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -67.18 -40.67 86.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.681 1.192 . . . . 0.0 112.739 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -77.23 -15.19 59.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.759 1.224 . . . . 0.0 114.279 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -57.87 5.52 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.621 1.168 . . . . 0.0 111.583 -177.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.39 -22.08 74.58 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.507 -0.746 . . . . 0.0 113.965 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -73.6 -42.13 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.798 1.239 . . . . 0.0 111.135 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG22 ' CD2' ' A' ' 19' ' ' PHE . 53.5 t -64.93 -38.36 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.82 1.248 . . . . 0.0 110.929 173.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.5 mtp -63.34 -44.01 96.09 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.071 -1.018 . . . . 0.0 112.287 170.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -65.93 -27.15 67.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.3 t -62.16 -31.28 71.76 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.817 0.735 . . . . 0.0 112.265 169.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 mt -88.03 4.72 44.1 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.186 1.794 . . . . 0.0 113.84 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.24 -6.81 62.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.518 1.533 . . . . 0.0 116.022 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.45 131.87 35.21 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.206 1.503 . . . . 0.0 109.876 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -123.7 68.77 43.41 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.795 -166.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -66.66 155.04 72.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.02 3.147 . . . . 0.0 112.993 -173.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.6 m -75.44 154.0 37.31 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.699 1.2 . . . . 0.0 111.761 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.47 -43.34 97.04 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.294 -1.504 . . . . 0.0 113.235 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.19 75.69 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.485 -0.759 . . . . 0.0 112.623 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -66.95 -42.59 84.95 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 111.625 174.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.36 -47.39 85.59 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.867 0.867 . . . . 0.0 111.177 171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.51 -40.22 96.04 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.469 0.577 . . . . 0.0 112.004 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.69 -38.22 90.31 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.102 0.865 . . . . 0.0 112.521 176.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.7 mtm -67.37 -40.54 85.74 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.365 -0.835 . . . . 0.0 112.335 170.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.432 HD13 ' HB ' ' A' ' 29' ' ' THR . 58.1 mt -67.05 -31.46 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.476 1.035 . . . . 0.0 111.612 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.8 -30.2 69.91 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.768 1.167 . . . . 0.0 112.383 173.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -84.04 -48.65 9.69 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.989 1.315 . . . . 0.0 112.495 172.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.2 t -73.49 -41.43 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.768 1.627 . . . . 0.0 113.11 -172.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -108.57 47.81 0.89 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.016 1.727 . . . . 0.0 112.248 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -26.01 63.48 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.15 0.4 57.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.896 1.278 . . . . 0.0 114.167 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.11 40.86 71.67 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 120.875 -1.14 . . . . 0.0 115.426 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -76.37 -23.36 54.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.224 1.41 . . . . 0.0 113.296 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.77 15.54 77.99 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.681 1.61 . . . . 0.0 114.346 -169.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -138.39 160.6 39.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.254 1.422 . . . . 0.0 113.538 -174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.98 137.14 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.173 2.189 . . . . 0.0 108.748 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.58 155.6 18.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.566 0.746 . . . . 0.0 111.378 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -44.54 -52.43 17.64 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.02 -29.95 26.54 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 121.986 1.791 . . . . 0.0 113.822 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.2 -31.26 65.72 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.318 -0.863 . . . . 0.0 111.672 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -66.74 -46.77 74.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.614 0.766 . . . . 0.0 111.247 169.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.92 -35.19 76.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.398 0.999 . . . . 0.0 112.275 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -40.25 63.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.032 1.333 . . . . 0.0 112.56 171.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 ptp -83.92 -33.38 24.72 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.31 0.959 . . . . 0.0 113.339 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -66.4 -32.97 74.68 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.619 -0.676 . . . . 0.0 112.784 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.14 69.2 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.785 0.721 . . . . 0.0 112.211 171.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.314 0.2 OUTLIER -86.21 -12.22 50.34 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -98.77 -6.12 29.96 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 170.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.6 mtm -64.15 -42.36 96.81 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.461 1.028 . . . . 0.0 109.154 166.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -80.66 151.63 28.88 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.845 1.258 . . . . 0.0 109.558 166.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -156.64 158.35 36.87 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.751 0.82 . . . . 0.0 111.792 -172.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.2 p -79.28 131.25 36.1 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -152.38 155.77 38.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.753 2.021 . . . . 0.0 109.812 169.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.1 t -150.44 126.93 10.79 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.181 0.992 . . . . 0.0 111.839 -177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.51 -28.29 66.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.636 1.175 . . . . 0.0 112.948 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.4 -44.2 65.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.979 0.912 . . . . 0.0 111.465 169.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.24 -44.54 75.45 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.377 0.671 . . . . 0.0 112.156 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.71 -44.5 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 123.944 0.898 . . . . 0.0 110.524 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -58.83 -45.95 88.83 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.289 0.95 . . . . 0.0 112.191 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -69.89 -39.13 76.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.137 0.88 . . . . 0.0 112.717 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 -22.51 65.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.719 1.207 . . . . 0.0 113.434 173.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -79.52 -42.18 25.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.046 -1.034 . . . . 0.0 110.826 167.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -60.38 -26.38 66.59 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.261 1.024 . . . . 0.0 113.761 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.6 m -68.8 -25.98 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 169.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.9 m-85 -90.33 -26.24 20.06 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.458 1.103 . . . . 0.0 112.718 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -60.22 113.19 2.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 110.528 174.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -77.84 -19.16 55.36 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -112.06 -15.47 13.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.819 1.247 . . . . 0.0 113.653 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 19.02 73.65 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.528 1.061 . . . . 0.0 113.172 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -94.28 3.59 55.02 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.909 1.683 . . . . 0.0 114.174 -169.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.79 19.41 59.73 Favored Glycine 0 CA--C 1.536 1.347 0 O-C-N 120.947 -1.096 . . . . 0.0 114.283 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -147.07 165.47 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.82 1.248 . . . . 0.0 111.136 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.0 mt -125.39 153.14 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.259 1.823 . . . . 0.0 109.114 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.77 142.83 40.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.076 -1.64 . . . . 0.0 110.654 172.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.88 74.7 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.037 -1.039 . . . . 0.0 112.958 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.18 -27.17 68.51 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.89 -44.12 56.31 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.975 0.91 . . . . 0.0 111.576 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.83 -39.06 80.21 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.596 0.634 . . . . 0.0 111.107 173.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -61.3 -38.84 88.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.304 0.642 . . . . 0.0 111.872 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.24 -64.66 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.412 0.551 . . . . 0.0 110.509 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 11.8 p -62.38 -38.2 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.908 0.776 . . . . 0.0 112.345 -171.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.1 mmt -69.34 -15.51 63.34 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -115.97 0.17 12.97 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.016 1.326 . . . . 0.0 113.693 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -112.72 -31.88 6.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.074 1.749 . . . . 0.0 113.182 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.696 HD12 HG23 ' A' ' 108' ' ' VAL . 29.8 mt -132.64 148.44 52.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.272 1.429 . . . . 0.0 111.036 -171.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.29 -140.23 30.56 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.976 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.42 -7.66 53.67 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt 50.55 93.47 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.067 2.547 . . . . 0.0 113.908 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.38 151.28 28.37 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.34 1.056 . . . . 0.0 112.061 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 159.86 24.95 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.802 0.841 . . . . 0.0 110.601 170.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.01 -39.22 81.2 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -77.63 -33.98 53.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.361 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.52 -40.41 89.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.836 1.654 . . . . 0.0 112.092 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.53 -31.92 34.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 111.971 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -37.23 84.56 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.633 -1.292 . . . . 0.0 111.402 174.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.46 -33.87 70.22 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.704 0.802 . . . . 0.0 111.548 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.7 ttm -66.75 -51.18 58.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.743 0.817 . . . . 0.0 110.945 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.02 -43.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.986 0.812 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -65.18 -20.61 66.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.435 -176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -110.55 -24.75 10.37 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.66 -30.33 32.78 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.181 0.993 . . . . 0.0 113.386 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -74.3 116.56 15.1 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.14 -0.975 . . . . 0.0 110.951 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.5 pt -92.53 -8.72 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.873 1.269 . . . . 0.0 114.403 -175.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -133.36 -12.68 2.73 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.06 -0.74 89.34 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 125.588 1.566 . . . . 0.0 115.182 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -93.13 18.1 9.9 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.21 1.505 . . . . 0.0 113.242 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.6 32.25 34.35 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 120.993 -1.067 . . . . 0.0 113.938 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -118.53 91.33 3.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.095 1.358 . . . . 0.0 110.454 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.6 m -75.2 104.02 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.791 1.237 . . . . 0.0 110.874 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -83.16 96.43 8.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 122.406 1.098 . . . . 0.0 110.981 -177.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.57 -26.13 65.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.96 -174.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -68.96 -31.4 70.23 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.192 1.36 . . . . 0.0 112.731 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.91 -43.99 42.52 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.462 -0.774 . . . . 0.0 110.44 168.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -64.29 -43.83 93.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.746 1.218 . . . . 0.0 113.985 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.01 -50.76 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.609 1.164 . . . . 0.0 111.145 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.9 -26.07 63.06 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.3 ttp -69.27 -46.96 65.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.668 0.667 . . . . 0.0 111.412 168.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -64.91 -43.59 92.33 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.392 0.542 . . . . 0.0 112.441 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p -77.88 -13.84 59.75 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.88 142.06 42.61 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.943 1.297 . . . . 0.0 113.793 -173.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.27 1.828 . . . . 0.0 111.852 -175.359 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 CA-C-O 118.99 -0.895 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -65.3 148.27 88.33 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.495 2.797 . . . . 0.0 112.538 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 72.61 6.95 67.78 Favored Glycine 0 CA--C 1.54 1.604 0 N-CA-C 115.557 0.983 . . . . 0.0 115.557 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 48.0 t -66.8 156.14 36.34 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.661 1.23 . . . . 0.0 113.389 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -54.82 -39.37 68.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.806 1.642 . . . . 0.0 112.03 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 48.8 tpt85 -57.5 -30.88 65.48 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -168.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -16.46 60.79 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -113.46 -19.97 11.48 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -51.63 -42.58 62.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.797 1.639 . . . . 0.0 112.308 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 56.2 tt0 -69.6 -24.61 63.69 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -176.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.8 m -104.43 -28.25 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.671 1.189 . . . . 0.0 112.588 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 73.9 m -59.09 -38.21 78.96 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.145 0.978 . . . . 0.0 110.993 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -56.74 -40.4 75.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 110.816 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.17 -39.77 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.859 -1.15 . . . . 0.0 111.814 -175.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.3 mt -58.94 -41.46 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.212 1.005 . . . . 0.0 111.368 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 10.1 mt -71.38 -38.8 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.881 0.872 . . . . 0.0 110.815 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.81 -41.16 86.12 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.196 0.907 . . . . 0.0 111.814 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -58.58 -53.93 52.83 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.843 0.747 . . . . 0.0 111.274 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.74 83.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.116 0.966 . . . . 0.0 112.901 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.98 -53.69 29.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.71 -30.34 70.69 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.804 -0.56 . . . . 0.0 111.679 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -51.29 70.49 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.984 0.914 . . . . 0.0 111.062 169.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.87 -35.19 79.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 65.7 mt -54.93 -32.09 60.89 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.61 -42.99 50.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.613 0.765 . . . . 0.0 112.103 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.43 -41.31 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.419 1.088 . . . . 0.0 112.932 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -73.35 -23.56 60.24 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -76.74 -45.59 28.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.653 1.181 . . . . 0.0 111.827 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.6 p -154.68 137.99 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.2 1.4 . . . . 0.0 111.986 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 62.3 pttt -153.43 158.88 42.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.93 1.692 . . . . 0.0 111.876 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 10.0 tptp . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.253 1.421 . . . . 0.0 112.737 179.057 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.543 0.211 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -83.99 -11.95 56.02 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.3 134.33 52.4 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.012 0.925 . . . . 0.0 111.923 178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.8 122.19 34.93 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.042 0.537 . . . . 0.0 111.62 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -87.14 172.85 9.63 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.824 1.249 . . . . 0.0 110.582 168.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.57 -34.5 71.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.94 0.896 . . . . 0.0 111.924 171.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.32 -43.93 69.29 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.119 0.968 . . . . 0.0 112.218 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -61.24 -44.18 97.66 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.663 0.665 . . . . 0.0 111.219 172.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -65.17 -42.41 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.249 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.05 78.29 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.009 1.277 . . . . 0.0 112.756 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.5 -44.8 81.58 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.853 -1.155 . . . . 0.0 111.786 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -65.56 -35.1 79.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.563 0.745 . . . . 0.0 112.187 172.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.37 -50.69 73.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.607 1.563 . . . . 0.0 111.339 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.61 -49.75 72.07 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.603 0.761 . . . . 0.0 111.99 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.34 72.48 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -75.51 -51.52 12.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.259 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -63.33 -17.52 62.65 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.4 tp -55.04 -22.91 17.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.607 1.563 . . . . 0.0 114.268 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD1' HG12 ' A' ' 35' ' ' VAL . 32.6 m-85 -126.0 6.59 7.26 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.44 1.496 . . . . 0.0 113.26 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.93 70.72 1.99 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.83 1.252 . . . . 0.0 110.29 173.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.71 -18.68 65.5 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.406 1.483 . . . . 0.0 114.483 -173.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -89.02 -19.05 26.14 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.705 1.202 . . . . 0.0 113.75 173.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.23 24.57 75.2 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.541 1.067 . . . . 0.0 114.303 -174.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -104.5 1.79 30.25 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.823 1.649 . . . . 0.0 114.508 -172.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 25.49 54.23 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 120.931 -1.106 . . . . 0.0 113.765 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 p -141.12 159.04 43.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.033 1.333 . . . . 0.0 112.502 -174.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.4 pt -129.81 165.94 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.1 1.76 . . . . 0.0 110.001 172.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -79.88 159.17 26.5 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.195 0.998 . . . . 0.0 112.312 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.3 p -62.85 -17.14 61.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.104 0.962 . . . . 0.0 112.652 169.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -80.0 -42.33 24.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.608 1.163 . . . . 0.0 112.465 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -72.59 -18.63 61.59 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.14 -59.58 2.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.808 1.243 . . . . 0.0 112.201 -175.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.8 -21.68 73.28 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.733 -0.604 . . . . 0.0 113.967 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 m -71.17 -40.2 71.43 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.466 -1.02 . . . . 0.0 110.664 170.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.592 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.304 1.3 m -72.36 -35.01 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.941 0.791 . . . . 0.0 112.283 173.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.7 mtp -59.01 -34.13 71.52 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.309 1.413 . . . . 0.0 112.859 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -68.18 -24.95 65.02 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -67.19 -33.4 75.31 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.329 0.968 . . . . 0.0 111.23 169.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.78 12.9 2.37 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.782 1.233 . . . . 0.0 113.965 168.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.83 74.23 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 117.177 1.631 . . . . 0.0 117.177 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -138.05 135.28 35.71 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.749 1.775 . . . . 0.0 113.186 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 9.9 t30 -90.04 106.37 14.33 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 123.301 0.641 . . . . 0.0 111.471 169.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 42' ' ' ASN . 95.4 Cg_endo -68.57 145.94 65.86 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.01 2.473 . . . . 0.0 111.427 168.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -68.42 150.25 48.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.162 0.985 . . . . 0.0 110.32 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -61.08 -30.5 70.38 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.355 -1.465 . . . . 0.0 113.132 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.14 -36.49 81.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.034 0.934 . . . . 0.0 112.92 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.78 -47.49 71.99 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.55 -0.719 . . . . 0.0 110.445 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -57.9 -45.74 86.01 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.091 0.556 . . . . 0.0 111.458 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -59.55 -43.13 93.63 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.348 0.659 . . . . 0.0 112.098 176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -66.58 -42.81 86.41 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.519 -0.738 . . . . 0.0 112.566 177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.332 -0.855 . . . . 0.0 111.923 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.68 -29.34 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.321 -0.862 . . . . 0.0 111.442 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -65.18 -28.33 69.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.427 1.467 . . . . 0.0 113.017 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -74.93 -48.82 22.6 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.429 1.013 . . . . 0.0 111.774 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 t -75.42 -46.23 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 113.476 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -107.11 55.38 0.65 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.899 1.679 . . . . 0.0 112.593 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.81 -23.03 64.76 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 121.246 -0.909 . . . . 0.0 113.337 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -81.83 -15.1 55.2 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.99 1.316 . . . . 0.0 114.094 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.83 27.89 73.52 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.295 0.95 . . . . 0.0 114.352 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -18.55 57.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.26 1.424 . . . . 0.0 114.462 -174.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.53 10.62 85.05 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.438 1.494 . . . . 0.0 116.259 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 p -132.16 160.81 34.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.529 1.664 . . . . 0.0 114.455 173.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -132.54 134.77 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 128.113 2.565 . . . . 0.0 108.577 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.67 157.23 19.14 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.896 0.771 . . . . 0.0 111.555 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -45.43 -55.83 11.03 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.14 -22.51 30.26 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.801 1.667 . . . . 0.0 113.604 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.26 -26.11 52.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.53 -0.731 . . . . 0.0 112.32 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -69.93 -39.06 76.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.228 0.922 . . . . 0.0 111.968 169.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.88 -21.28 64.58 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 t -59.85 -35.11 74.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ptp -88.24 -31.32 19.1 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.918 -0.489 . . . . 0.0 111.645 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.89 -32.26 73.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.897 0.771 . . . . 0.0 112.595 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.98 -42.04 75.69 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.353 0.661 . . . . 0.0 112.17 169.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -81.02 -33.96 33.23 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.042 1.737 . . . . 0.0 113.597 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.01 -5.08 59.16 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.782 2.033 . . . . 0.0 114.754 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.6 mtm -70.24 91.91 0.75 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.277 0.944 . . . . 0.0 110.021 168.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -138.73 163.46 32.11 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.396 1.878 . . . . 0.0 112.33 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -132.09 35.72 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.545 1.938 . . . . 0.0 112.674 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.1 p -55.67 144.26 27.55 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.445 1.498 . . . . 0.0 113.502 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 62.5 -26.14 0.06 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 128.455 2.702 . . . . 0.0 116.481 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.0 t 58.93 114.25 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.816 2.846 . . . . 0.0 115.9 176.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -58.3 -42.45 86.67 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.177 -0.952 . . . . 0.0 112.318 175.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -68.18 -37.57 81.09 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.542 -0.724 . . . . 0.0 112.256 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.39 90.44 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.67 -0.644 . . . . 0.0 111.548 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.05 -47.58 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 123.61 0.764 . . . . 0.0 110.542 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -57.27 -46.12 83.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.33 0.968 . . . . 0.0 111.913 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -65.47 -42.3 92.41 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.035 0.834 . . . . 0.0 112.657 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.52 -22.75 64.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 113.714 175.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.34 -41.23 34.18 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.91 -1.119 . . . . 0.0 111.01 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.01 -26.4 68.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.91 -21.2 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.07 -27.07 15.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.078 1.351 . . . . 0.0 113.097 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -58.91 128.85 39.31 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.034 0.934 . . . . 0.0 109.804 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -56.95 -40.06 75.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.236 1.414 . . . . 0.0 113.389 -172.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.21 -1.91 1.5 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -173.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.58 42.96 10.72 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.372 0.987 . . . . 0.0 111.779 -168.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -75.52 -19.15 59.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.274 2.23 . . . . 0.0 113.487 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.15 17.22 54.14 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.012 1.291 . . . . 0.0 113.705 -169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.65 162.5 41.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.426 1.091 . . . . 0.0 112.315 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.54 139.85 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.308 1.843 . . . . 0.0 109.421 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -68.25 143.65 55.19 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.524 -1.36 . . . . 0.0 112.309 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.07 85.62 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.36 -0.837 . . . . 0.0 112.79 -176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.78 72.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.526 0.73 . . . . 0.0 112.829 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -74.09 -44.62 53.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.635 0.774 . . . . 0.0 111.809 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 108' ' ' VAL . 9.8 tp -68.88 -36.13 77.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.781 0.719 . . . . 0.0 111.149 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -63.08 -36.5 83.78 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.755 1.162 . . . . 0.0 112.032 169.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.4 -64.08 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.917 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.4 m -57.52 -40.42 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.863 1.665 . . . . 0.0 112.722 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.0 mmt -75.91 -10.23 59.26 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -174.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -122.32 -4.6 8.88 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -99.95 -26.15 14.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.847 1.659 . . . . 0.0 113.507 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.9 mt -134.48 152.6 51.9 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.099 1.36 . . . . 0.0 111.14 -168.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.26 -142.59 36.06 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 114.53 0.572 . . . . 0.0 114.53 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -81.04 8.41 8.59 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -173.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 42.64 104.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 129.638 3.175 . . . . 0.0 114.891 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.9 144.35 57.14 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.644 0.777 . . . . 0.0 110.808 170.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.7 159.29 30.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.097 0.559 . . . . 0.0 109.963 171.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.74 -31.71 64.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -83.99 -26.83 28.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.817 0.847 . . . . 0.0 112.952 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -77.82 -40.5 40.24 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.922 1.689 . . . . 0.0 111.537 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.19 -32.52 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.88 0.872 . . . . 0.0 110.992 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.31 -38.4 81.56 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 111.719 170.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.24 -38.25 76.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.652 0.66 . . . . 0.0 110.852 169.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.17 -56.01 22.99 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.198 170.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.0 mm -58.57 -40.02 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 121.012 1.733 . . . . 0.0 111.225 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -52.8 -35.02 56.21 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.904 1.681 . . . . 0.0 113.758 178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -109.88 -15.92 13.98 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -90.82 -33.58 15.63 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.343 1.857 . . . . 0.0 113.02 177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -75.38 66.01 1.75 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.056 1.743 . . . . 0.0 111.388 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.78 -27.57 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.94 1.696 . . . . 0.0 111.818 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -75.17 -20.13 59.5 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.01 0.924 . . . . 0.0 113.463 172.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.75 12.52 70.75 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.15 1.357 . . . . 0.0 114.848 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -121.3 28.33 7.85 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.695 1.998 . . . . 0.0 112.81 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.92 23.87 77.39 Favored Glycine 0 CA--C 1.534 1.223 0 O-C-N 120.956 -1.09 . . . . 0.0 113.701 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -126.82 89.68 3.03 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.935 1.694 . . . . 0.0 109.372 -172.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.706 HG13 ' HB1' ' A' ' 128' ' ' ALA . 28.7 t -66.43 124.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 123.242 0.617 . . . . 0.0 110.421 177.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.55 94.41 8.18 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.992 0.901 . . . . 0.0 110.863 174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -66.29 -28.57 68.8 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.137 -0.938 . . . . 0.0 112.798 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.52 -27.51 67.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.508 1.049 . . . . 0.0 112.779 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -88.8 -39.6 13.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.686 1.194 . . . . 0.0 111.671 168.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.72 -43.43 90.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.35 1.06 . . . . 0.0 112.569 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.6 p -56.51 -39.19 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.43 1.092 . . . . 0.0 112.472 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.87 -49.34 59.09 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.237 0.615 . . . . 0.0 110.654 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.6 ttp -57.92 -43.27 86.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.286 0.634 . . . . 0.0 112.308 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 29.0 ttp -67.91 -32.0 72.17 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.621 1.568 . . . . 0.0 112.961 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.6 p -93.57 -28.08 16.24 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.15 151.9 46.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 127.752 2.421 . . . . 0.0 114.39 169.163 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -66.03 118.0 5.14 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.31 2.674 . . . . 0.0 111.243 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 69.3 16.99 71.84 Favored Glycine 0 CA--C 1.537 1.443 0 N-CA-C 115.518 0.967 . . . . 0.0 115.518 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 68.2 m -57.41 116.02 3.08 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.264 1.532 . . . . 0.0 111.866 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 13.9 ttmm 49.4 38.49 14.2 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.261 1.824 . . . . 0.0 113.867 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -48.28 -39.69 22.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.773 1.629 . . . . 0.0 114.074 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 65.3 pttt -58.16 -31.35 67.16 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -92.91 -41.85 9.82 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.585 1.154 . . . . 0.0 112.132 171.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.79 -47.86 73.44 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.15 1.38 . . . . 0.0 111.809 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -67.38 -28.76 68.2 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 3.7 m -95.81 -30.07 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.229 1.012 . . . . 0.0 112.024 -173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 60.6 m -59.89 -40.69 89.57 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.351 1.06 . . . . 0.0 110.673 169.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.95 77.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.725 -0.609 . . . . 0.0 110.858 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.83 -37.66 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 120.995 -1.066 . . . . 0.0 112.197 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.23 -45.18 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.297 1.039 . . . . 0.0 110.758 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.46 -41.0 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.443 1.097 . . . . 0.0 111.072 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.94 -48.69 77.72 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.608 1.163 . . . . 0.0 111.68 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.23 -45.73 79.67 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.525 1.13 . . . . 0.0 111.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.17 82.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 172.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 45.4 t80 -67.42 -49.78 62.29 Favored 'General case' 0 C--O 1.23 0.071 0 O-C-N 121.41 -0.806 . . . . 0.0 111.926 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -65.82 -26.79 67.83 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.545 -0.722 . . . . 0.0 112.429 175.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -63.08 -43.05 99.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.982 0.913 . . . . 0.0 110.927 168.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.55 -39.51 91.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.335 0.654 . . . . 0.0 112.478 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.24 -40.63 86.54 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.103 -0.998 . . . . 0.0 112.193 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.88 -45.13 78.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.862 0.865 . . . . 0.0 111.822 172.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -54.19 -42.32 69.57 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.994 1.718 . . . . 0.0 112.516 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.0 -24.16 64.24 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.989 0.916 . . . . 0.0 113.434 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -93.96 -37.7 11.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.211 1.404 . . . . 0.0 113.606 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 27.4 m -86.57 -3.51 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -71.2 139.63 50.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.979 -1.076 . . . . 0.0 110.542 168.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.586 1.555 . . . . 0.0 112.335 -173.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.571 0.224 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.31 127.88 33.39 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.813 1.245 . . . . 0.0 111.511 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -154.8 169.54 23.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.128 0.971 . . . . 0.0 113.299 -169.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.1 mt -120.11 150.93 39.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.46 1.904 . . . . 0.0 112.27 171.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -80.22 155.54 27.31 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.832 1.253 . . . . 0.0 109.55 168.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -55.38 -32.96 63.03 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.878 -1.139 . . . . 0.0 113.822 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -68.07 -42.46 80.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.162 0.985 . . . . 0.0 112.202 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -64.67 -41.96 95.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.661 0.784 . . . . 0.0 110.83 173.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.39 -44.68 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.222 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.55 74.69 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.42 1.009 . . . . 0.0 112.875 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.55 -44.79 81.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.793 -1.192 . . . . 0.0 111.709 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -68.74 -33.91 74.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.702 0.801 . . . . 0.0 112.218 176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.91 -52.71 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.221 1.808 . . . . 0.0 111.048 173.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.01 -50.44 68.51 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.058 0.543 . . . . 0.0 111.761 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.93 74.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -73.28 -48.11 37.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.843 0.857 . . . . 0.0 111.637 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -59.98 -27.05 66.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.287 1.035 . . . . 0.0 112.405 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.91 -21.96 33.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.298 1.439 . . . . 0.0 114.146 172.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HG22 ' A' ' 35' ' ' VAL . 60.0 m-85 -120.15 4.04 10.87 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.864 1.666 . . . . 0.0 113.092 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -74.22 67.42 1.37 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.645 1.578 . . . . 0.0 110.823 172.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -66.27 -18.42 65.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.313 1.445 . . . . 0.0 114.46 -174.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -84.88 -15.01 46.03 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.599 1.159 . . . . 0.0 113.507 171.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 31.99 82.54 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.357 0.98 . . . . 0.0 113.491 -174.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -118.28 5.81 11.89 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.766 1.626 . . . . 0.0 114.036 -169.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.98 24.53 61.62 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.806 1.193 . . . . 0.0 114.321 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -141.99 158.88 43.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.7 1.2 . . . . 0.0 113.127 -174.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -133.42 168.8 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.28 1.832 . . . . 0.0 110.817 174.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -80.94 158.57 25.19 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.121 0.963 . . . . 0.0 111.887 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 p -59.7 -30.47 68.82 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.584 0.754 . . . . 0.0 112.437 172.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -72.01 -40.03 68.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.786 0.834 . . . . 0.0 112.519 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.63 -15.16 61.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.01 -47.33 71.62 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.908 1.231 . . . . 0.0 112.149 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.4 76.76 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 118.826 0.739 . . . . 0.0 113.48 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -66.1 -41.08 91.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.848 1.324 . . . . 0.0 111.313 172.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 19' ' ' PHE . 55.7 t -64.68 -41.47 92.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.347 1.059 . . . . 0.0 110.977 174.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.7 mtp -62.09 -42.12 98.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.994 -1.066 . . . . 0.0 112.265 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -67.48 -31.0 70.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.049 0.94 . . . . 0.0 112.701 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.5 t -62.8 -33.06 74.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.516 0.726 . . . . 0.0 111.974 169.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.4 mt -82.47 5.87 19.21 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.051 1.74 . . . . 0.0 114.145 170.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.23 -4.43 67.37 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.482 1.515 . . . . 0.0 115.788 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -85.29 115.86 23.29 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.922 1.361 . . . . 0.0 108.923 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -103.65 86.51 1.19 Allowed Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 121.491 -0.756 . . . . 0.0 110.971 176.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.1 153.39 57.27 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.761 2.307 . . . . 0.0 111.057 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -83.99 161.21 20.83 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.196 -0.94 . . . . 0.0 111.637 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.88 -36.35 83.03 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.828 -1.795 . . . . 0.0 113.187 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.59 63.58 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -87.3 -36.48 17.85 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.225 1.81 . . . . 0.0 111.551 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.3 mt -58.59 -45.39 89.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.969 0.908 . . . . 0.0 110.905 169.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -61.32 -36.46 80.19 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.09 -28.05 68.53 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.1 mtm -85.03 -42.57 14.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 112.419 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.27 -28.46 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -59.71 -19.69 51.55 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 121.02 1.736 . . . . 0.0 113.775 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -75.5 -28.62 59.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.397 1.479 . . . . 0.0 113.513 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 m -105.37 -37.53 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.832 1.653 . . . . 0.0 113.815 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -89.37 30.91 0.94 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.233 1.813 . . . . 0.0 112.243 173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.02 67.96 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.995 -1.066 . . . . 0.0 113.239 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -84.97 -7.85 58.98 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.213 1.405 . . . . 0.0 113.698 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.7 11.5 73.19 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.325 1.441 . . . . 0.0 116.007 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -76.97 -7.12 55.03 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.896 1.848 . . . . 0.0 114.961 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.71 13.33 80.52 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 120.879 -1.138 . . . . 0.0 115.635 171.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.4 p -136.69 158.74 43.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.092 1.357 . . . . 0.0 113.195 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.4 mt -139.45 138.45 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.738 2.015 . . . . 0.0 108.963 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.7 159.58 17.75 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.734 0.814 . . . . 0.0 112.074 175.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -46.38 -56.98 9.46 Favored Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 173.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.93 -21.11 21.4 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.857 1.705 . . . . 0.0 113.074 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.44 -42.62 71.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.53 0.605 . . . . 0.0 111.017 173.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.59 -40.06 86.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.337 -0.852 . . . . 0.0 112.442 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mt -64.26 -19.17 65.21 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -37.45 84.96 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.909 0.777 . . . . 0.0 112.492 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.7 ptp -84.18 -33.46 24.19 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.763 -0.586 . . . . 0.0 112.144 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.5 mmm -63.54 -38.45 91.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.485 0.584 . . . . 0.0 111.624 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.65 67.77 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -81.52 -40.04 23.79 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.411 1.084 . . . . 0.0 113.324 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -63.56 -28.99 70.32 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.134 1.374 . . . . 0.0 113.221 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.3 mmm -80.34 -103.26 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.85 1.66 . . . . 0.0 112.116 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt 55.19 -171.76 0.06 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.434 1.894 . . . . 0.0 113.266 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -73.54 158.24 35.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.274 -0.891 . . . . 0.0 111.447 169.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.4 p -135.77 141.14 44.75 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.487 1.115 . . . . 0.0 111.994 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -81.97 126.1 31.54 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.143 0.977 . . . . 0.0 110.0 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.2 t -69.52 126.64 30.35 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -169.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -59.97 -45.62 92.08 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.812 1.245 . . . . 0.0 112.416 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.84 -33.81 76.42 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.638 -0.664 . . . . 0.0 112.19 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -68.99 -44.82 72.08 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.815 -0.553 . . . . 0.0 111.569 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.6 -46.22 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.883 0.873 . . . . 0.0 110.02 174.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -48.93 79.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.063 0.945 . . . . 0.0 111.003 178.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.52 -44.81 93.19 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.558 -0.713 . . . . 0.0 112.472 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.73 80.01 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.701 1.2 . . . . 0.0 112.892 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.66 -43.53 75.99 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.282 -0.887 . . . . 0.0 112.014 172.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -63.14 -23.17 67.31 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.438 -0.789 . . . . 0.0 112.951 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -62.73 -38.83 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.952 1.301 . . . . 0.0 111.345 167.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.07 -17.98 33.64 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.264 1.426 . . . . 0.0 114.521 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.79 133.43 54.74 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.35 -0.843 . . . . 0.0 109.244 169.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -68.18 -27.68 66.61 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -173.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -149.9 10.01 0.7 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.7 59.28 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 120.842 -1.161 . . . . 0.0 113.598 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -67.34 -18.93 65.36 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.817 2.047 . . . . 0.0 113.597 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 21.74 41.95 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.506 1.527 . . . . 0.0 113.144 -169.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.86 161.64 40.56 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.388 1.094 . . . . 0.0 112.784 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -128.34 139.43 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.747 1.619 . . . . 0.0 109.461 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -66.32 141.76 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 120.496 -1.377 . . . . 0.0 111.8 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.1 93.2 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.099 -1.001 . . . . 0.0 112.665 -176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.04 73.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.395 0.678 . . . . 0.0 112.691 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -73.91 -45.49 50.32 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.64 0.776 . . . . 0.0 111.902 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.465 HD22 HG11 ' A' ' 136' ' ' VAL . 11.0 tp -67.97 -34.14 75.99 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.16 0.891 . . . . 0.0 111.268 174.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.2 ttt85 -61.91 -45.13 95.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.677 1.126 . . . . 0.0 110.761 168.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -57.55 -57.88 10.75 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.941 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 105' ' ' LEU . 3.0 m -58.29 -40.91 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 120.586 1.539 . . . . 0.0 111.715 -178.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.6 mmt -75.59 -14.83 60.4 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 p -116.11 4.83 13.7 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -105.72 -23.7 12.68 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.734 1.214 . . . . 0.0 113.055 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.89 164.14 27.94 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.972 1.309 . . . . 0.0 111.397 -167.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.39 50.72 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 121.914 0.73 . . . . 0.0 113.508 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -69.15 -12.15 61.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.846 1.658 . . . . 0.0 114.443 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.34 135.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.948 2.499 . . . . 0.0 113.102 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 mt -92.42 151.78 20.06 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.217 1.007 . . . . 0.0 110.033 167.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -67.91 160.59 28.21 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.206 1.002 . . . . 0.0 110.685 170.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -56.09 -44.9 79.47 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.572 1.149 . . . . 0.0 113.934 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.3 -33.05 64.98 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.269 -0.894 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -69.92 -40.04 75.78 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.457 1.503 . . . . 0.0 112.297 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.94 -31.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.927 0.891 . . . . 0.0 112.027 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.03 -36.08 77.36 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.941 -1.1 . . . . 0.0 111.762 170.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.08 -29.55 68.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.943 0.897 . . . . 0.0 112.087 171.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.1 ttm -66.46 -55.77 14.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.71 0.686 . . . . 0.0 110.047 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.1 mm -56.49 -36.01 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.945 0.793 . . . . 0.0 111.784 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -53.51 -41.51 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.86 1.264 . . . . 0.0 113.419 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -42.1 11.28 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 111.72 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -64.86 -33.65 76.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.432 1.893 . . . . 0.0 112.447 -170.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -102.61 111.22 23.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.589 1.155 . . . . 0.0 110.303 168.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.46 -28.61 22.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 123.89 0.876 . . . . 0.0 112.377 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -90.1 -29.65 18.19 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.411 1.084 . . . . 0.0 113.641 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.01 11.07 83.08 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 125.527 1.537 . . . . 0.0 114.901 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -81.12 -3.34 51.73 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.289 1.436 . . . . 0.0 114.515 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.58 27.2 9.97 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.123 1.821 . . . . 0.0 113.915 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -129.57 101.78 6.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.393 1.477 . . . . 0.0 110.86 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 105' ' ' LEU . 13.7 t -69.36 130.49 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.516 0.674 . . . . 0.0 110.663 173.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.96 80.84 2.53 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.264 1.03 . . . . 0.0 111.752 173.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -57.91 -28.92 64.67 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.114 -0.948 . . . . 0.0 113.448 -173.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.73 -33.13 74.5 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.294 1.037 . . . . 0.0 112.654 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.28 -38.24 27.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.377 0.671 . . . . 0.0 111.193 169.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.49 -39.54 92.03 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.889 0.876 . . . . 0.0 113.12 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.39 -45.88 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.836 0.744 . . . . 0.0 111.411 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -66.19 -37.15 84.91 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.618 0.767 . . . . 0.0 111.704 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.09 -46.53 70.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.675 0.79 . . . . 0.0 112.754 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.7 mtm -64.47 -38.22 90.26 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.129 0.877 . . . . 0.0 111.926 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.1 p -82.8 3.31 29.98 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.92 149.09 37.5 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.402 1.881 . . . . 0.0 114.155 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.403 0 CA-C-O 118.712 -1.049 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.8 170.67 19.49 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.236 3.29 . . . . 0.0 112.655 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.11 80.76 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.583 1.087 . . . . 0.0 113.754 -174.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 30.1 t -154.46 161.77 41.51 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.939 2.096 . . . . 0.0 110.063 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 19.8 ttmm 49.55 53.7 12.26 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.611 1.565 . . . . 0.0 112.33 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -53.43 -32.35 49.4 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.849 1.26 . . . . 0.0 114.318 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.88 -29.54 69.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.61 1.164 . . . . 0.0 113.434 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -88.6 -41.6 12.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.279 1.031 . . . . 0.0 112.46 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.39 -50.06 72.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.877 0.871 . . . . 0.0 111.793 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -64.24 -24.8 67.8 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.611 1.164 . . . . 0.0 114.1 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.2 m -98.97 -33.0 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.431 1.092 . . . . 0.0 112.375 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -54.98 -41.99 71.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.651 1.181 . . . . 0.0 110.6 171.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.44 76.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.634 -0.666 . . . . 0.0 111.779 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.29 -37.01 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.255 0.934 . . . . 0.0 111.916 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 8.2 mt -59.58 -41.67 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.772 1.229 . . . . 0.0 110.939 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.45 -37.88 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.399 1.08 . . . . 0.0 111.057 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.867 1.212 . . . . 0.0 111.665 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.09 -57.09 13.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.651 1.181 . . . . 0.0 110.965 172.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.95 72.54 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.841 0.856 . . . . 0.0 112.839 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 44.1 t80 -69.89 -51.45 33.06 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -66.62 -23.56 66.19 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.955 -1.09 . . . . 0.0 112.495 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -64.91 -48.2 75.0 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.486 1.114 . . . . 0.0 110.072 168.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.7 -30.82 71.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.226 1.41 . . . . 0.0 114.19 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 31.6 mt -56.27 -20.97 20.93 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.746 0.818 . . . . 0.0 113.047 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 65.7 mt -81.41 -44.44 17.52 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.205 1.002 . . . . 0.0 111.786 168.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -63.41 -34.85 78.65 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.758 1.623 . . . . 0.0 113.589 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -13.43 29.9 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 14.0 mptt -71.03 -36.29 72.32 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 111.674 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 7.5 p -159.35 120.93 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.431 1.493 . . . . 0.0 110.551 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 60.8 pttt -136.38 136.83 39.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.863 1.665 . . . . 0.0 110.693 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.553 1.941 . . . . 0.0 111.326 -169.533 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.285 0.564 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -98.14 -4.82 34.86 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -62.5 146.58 51.28 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -171.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.38 145.33 27.53 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.449 1.1 . . . . 0.0 112.526 175.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.0 m -79.65 154.93 28.32 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 109.293 168.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -55.07 -33.31 62.64 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.992 -1.067 . . . . 0.0 113.708 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.89 -40.35 75.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.04 0.936 . . . . 0.0 112.575 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.11 -43.56 94.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.404 0.682 . . . . 0.0 110.644 172.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.46 -45.68 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.633 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.36 90.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.891 0.769 . . . . 0.0 112.666 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.25 -46.07 82.02 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.185 -0.947 . . . . 0.0 111.783 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -65.32 -33.91 77.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.463 0.705 . . . . 0.0 112.062 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -55.31 -53.33 57.51 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.09 1.756 . . . . 0.0 111.125 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -66.17 -49.61 66.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.677 0.791 . . . . 0.0 111.728 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.98 73.24 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -73.48 -48.39 33.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.89 0.768 . . . . 0.0 111.566 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.0 t -61.89 -28.76 69.74 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.269 1.028 . . . . 0.0 113.08 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.53 -19.77 6.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.572 1.549 . . . . 0.0 114.351 170.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CD1' HG22 ' A' ' 35' ' ' VAL . 38.7 m-85 -126.01 8.14 7.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.626 1.171 . . . . 0.0 113.462 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -66.94 133.27 49.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.382 1.073 . . . . 0.0 111.001 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -58.87 -34.94 72.19 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -171.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -158.33 12.31 0.18 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.61 23.96 51.77 Favored Glycine 0 CA--C 1.54 1.646 0 O-C-N 120.809 -1.182 . . . . 0.0 112.32 -168.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -82.43 -9.16 59.55 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.876 1.67 . . . . 0.0 113.791 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.61 23.15 60.75 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.903 1.24 . . . . 0.0 113.48 -171.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.2 p -142.17 151.35 42.13 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.567 1.184 . . . . 0.0 113.48 -175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 pt -124.7 171.75 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 126.835 2.054 . . . . 0.0 110.89 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -86.08 159.72 19.48 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 122.329 1.061 . . . . 0.0 112.446 169.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -62.43 -21.57 65.52 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.532 1.133 . . . . 0.0 113.024 170.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -75.74 -43.55 46.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.352 1.061 . . . . 0.0 112.527 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.53 -13.18 60.11 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.85 -57.2 6.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.945 1.248 . . . . 0.0 111.728 178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.68 -27.4 71.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.141 -0.974 . . . . 0.0 113.342 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.6 m -74.23 -35.18 63.85 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.15 0.98 . . . . 0.0 111.797 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 19' ' ' PHE . 52.2 t -63.76 -41.41 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.532 0.733 . . . . 0.0 110.305 169.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.6 mtp -63.51 -41.85 98.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.145 -0.972 . . . . 0.0 112.292 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -61.07 -37.39 82.49 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.28 1.032 . . . . 0.0 112.648 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 t -62.49 -32.88 73.86 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.955 0.902 . . . . 0.0 112.372 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.7 mt -80.56 6.84 11.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.502 1.521 . . . . 0.0 114.298 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.85 16.96 66.6 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 0.0 115.615 172.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -132.73 125.45 30.23 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.902 1.351 . . . . 0.0 111.462 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.12 92.87 5.86 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.428 1.091 . . . . 0.0 111.862 -175.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -69.87 152.26 68.7 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.611 2.874 . . . . 0.0 112.421 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -69.9 159.65 33.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.773 0.829 . . . . 0.0 112.042 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -60.2 -31.7 70.39 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.181 -0.949 . . . . 0.0 112.483 171.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.56 -44.86 73.56 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.987 0.915 . . . . 0.0 112.219 174.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.83 -45.06 95.45 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.776 0.83 . . . . 0.0 111.957 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.93 -46.03 91.12 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 121.743 -0.598 . . . . 0.0 111.442 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.8 -41.66 91.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.516 0.726 . . . . 0.0 111.897 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -62.17 -44.96 95.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.826 0.85 . . . . 0.0 112.63 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -67.84 -40.19 83.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.644 -0.66 . . . . 0.0 112.124 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.1 -29.04 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.8 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.78 -28.9 70.31 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.305 1.411 . . . . 0.0 112.902 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -83.34 -44.33 14.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.495 0.718 . . . . 0.0 112.635 171.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 t -73.41 -40.06 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.568 1.147 . . . . 0.0 113.908 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -118.73 46.83 1.76 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.773 1.629 . . . . 0.0 112.712 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.55 -26.54 63.67 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -87.31 -4.82 59.07 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.63 40.72 58.53 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.031 -1.043 . . . . 0.0 115.277 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.36 -23.59 54.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.144 1.378 . . . . 0.0 113.091 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.43 16.74 77.43 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.791 1.662 . . . . 0.0 114.625 -172.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.1 p -137.83 159.05 43.04 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.263 1.425 . . . . 0.0 113.563 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.2 mt -141.07 137.32 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.982 2.113 . . . . 0.0 108.727 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.13 157.55 18.26 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.831 0.741 . . . . 0.0 111.64 172.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -46.78 -55.72 13.9 Favored Pre-proline 0 CA--C 1.545 0.77 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -21.96 30.49 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 121.936 1.757 . . . . 0.0 113.453 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -72.97 -40.53 65.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.815 0.734 . . . . 0.0 111.235 173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.87 -39.99 91.28 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.494 -0.754 . . . . 0.0 112.182 173.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt -63.26 -19.22 64.37 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.312 -0.867 . . . . 0.0 113.164 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -35.66 81.12 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.295 0.952 . . . . 0.0 112.8 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 ptp -83.73 -36.18 23.87 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.85 -0.531 . . . . 0.0 111.353 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.11 -24.86 66.76 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.181 0.901 . . . . 0.0 113.124 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.07 88.78 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.765 0.826 . . . . 0.0 112.818 169.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -47.05 9.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.485 1.514 . . . . 0.0 112.848 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -84.9 13.9 5.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.595 2.358 . . . . 0.0 113.611 -174.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ttm -59.26 143.82 48.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.584 1.154 . . . . 0.0 113.43 -169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -71.0 -3.93 22.16 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.96 121.68 14.15 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.958 0.903 . . . . 0.0 111.414 170.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.6 p -149.11 154.04 38.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.332 1.453 . . . . 0.0 111.822 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.08 145.74 55.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.75 0.82 . . . . 0.0 111.491 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.4 t -63.95 115.87 5.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.593 0.711 . . . . 0.0 112.708 -170.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.83 -42.59 90.38 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.413 1.085 . . . . 0.0 112.835 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -65.16 -35.6 81.6 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.961 0.905 . . . . 0.0 112.009 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.85 -43.11 80.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.601 -0.687 . . . . 0.0 111.718 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.71 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 123.182 0.593 . . . . 0.0 110.107 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -59.25 -44.65 92.38 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.154 0.888 . . . . 0.0 112.484 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -63.53 -46.55 85.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.963 0.905 . . . . 0.0 112.093 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.15 -21.34 65.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.582 1.553 . . . . 0.0 113.944 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.34 -42.38 20.63 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.253 -0.905 . . . . 0.0 112.541 169.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ttp-105 -62.12 -25.97 68.03 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.109 -0.994 . . . . 0.0 113.446 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.07 -19.46 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 170.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.9 m-85 -95.44 -22.42 17.71 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.401 1.08 . . . . 0.0 112.805 173.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.06 115.68 3.94 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.393 1.077 . . . . 0.0 110.413 173.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -73.73 -16.79 61.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -125.99 -15.74 5.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.98 18.92 79.21 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.074 0.845 . . . . 0.0 112.822 -168.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -80.88 -2.38 47.23 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.902 1.681 . . . . 0.0 114.39 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.84 23.24 56.25 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.63 1.11 . . . . 0.0 113.571 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.36 164.38 35.97 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.533 1.133 . . . . 0.0 111.974 -178.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -129.21 144.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.025 1.73 . . . . 0.0 108.942 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.7 t -65.42 144.42 57.07 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.211 -1.556 . . . . 0.0 111.338 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.29 69.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 173.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.47 79.67 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.271 0.628 . . . . 0.0 112.164 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -72.06 -43.73 64.43 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.457 0.703 . . . . 0.0 112.383 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.35 -40.2 77.65 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.936 0.789 . . . . 0.0 110.9 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -58.37 -45.79 87.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.051 0.841 . . . . 0.0 111.345 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -54.99 -59.21 5.06 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.234 0.614 . . . . 0.0 111.364 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.721 HG23 HD12 ' A' ' 112' ' ' LEU . 11.3 p -65.04 -34.87 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 118.998 0.817 . . . . 0.0 112.264 -175.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -71.45 -15.53 62.34 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -116.47 8.08 13.95 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 169.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -108.85 -44.68 3.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.967 1.307 . . . . 0.0 111.718 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.721 HD12 HG23 ' A' ' 108' ' ' VAL . 54.4 mt -121.13 146.82 46.35 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.091 1.357 . . . . 0.0 111.865 -168.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.88 -148.84 43.73 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.149 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -69.54 -6.36 30.34 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -168.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 54.63 108.52 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 128.266 2.626 . . . . 0.0 114.358 -173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.12 149.43 46.45 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.782 -0.574 . . . . 0.0 110.539 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -67.76 161.78 25.33 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.134 0.974 . . . . 0.0 110.852 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -56.02 -45.76 79.02 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.63 -1.294 . . . . 0.0 114.143 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.41 -31.99 64.18 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.147 -0.97 . . . . 0.0 112.268 175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.0 -40.31 71.9 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.801 1.64 . . . . 0.0 112.264 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 p -75.04 -30.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.168 0.987 . . . . 0.0 111.662 174.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -70.71 -35.94 72.98 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.855 -1.153 . . . . 0.0 112.181 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.32 -30.69 68.53 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.953 0.901 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 ttm -67.47 -55.83 12.02 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.458 0.703 . . . . 0.0 109.819 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -57.08 -37.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 119.271 0.941 . . . . 0.0 111.562 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -50.34 -38.97 44.81 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.74 1.216 . . . . 0.0 113.807 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -110.09 -20.48 12.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.275 1.43 . . . . 0.0 114.141 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -77.15 -38.67 51.36 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.918 1.687 . . . . 0.0 112.333 173.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.87 62.76 2.76 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 111.32 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 20.4 tt -62.24 -24.61 35.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 124.316 1.046 . . . . 0.0 112.81 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -73.93 -17.13 61.06 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.341 1.056 . . . . 0.0 113.633 171.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.71 78.6 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.899 1.238 . . . . 0.0 113.98 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -139.4 24.61 2.47 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.206 1.402 . . . . 0.0 113.299 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.78 78.7 Favored Glycine 0 CA--C 1.536 1.392 0 O-C-N 120.654 -1.279 . . . . 0.0 113.956 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -121.87 90.11 3.25 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.541 1.536 . . . . 0.0 109.199 -176.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' A' ' 128' ' ' ALA . 24.0 t -65.53 120.65 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.951 174.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -92.15 96.16 10.16 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.807 0.813 . . . . 0.0 110.502 170.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' O ' HG23 ' A' ' 142' ' ' VAL . 2.4 p90 -64.51 -32.44 74.07 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.751 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -60.13 -39.15 85.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.576 1.535 . . . . 0.0 112.732 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -76.52 -37.97 55.88 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.197 0.999 . . . . 0.0 112.111 169.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 5.1 t80 -64.53 -39.03 93.01 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 138' ' ' TYR . 5.3 t -56.44 -49.57 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.663 1.12 . . . . 0.0 108.592 170.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -63.92 -38.4 90.94 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 123.849 0.718 . . . . 0.0 110.983 -171.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.5 ttp -66.7 -45.71 77.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 112.846 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.0 mtm -64.42 -39.21 93.41 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.701 0.682 . . . . 0.0 112.617 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.8 p -77.7 -36.17 51.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.994 0.918 . . . . 0.0 113.021 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.32 162.27 10.18 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.762 1.225 . . . . 0.0 113.777 173.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 124.784 1.233 . . . . 0.0 111.613 169.858 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.53 0 CA-C-O 118.501 -1.166 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 165.25 9.67 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.88 3.053 . . . . 0.0 114.181 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 179.38 -136.65 2.88 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.467 1.032 . . . . 0.0 112.721 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 60.0 p -152.19 171.74 17.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.492 1.117 . . . . 0.0 112.788 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 17.1 tptm -47.53 -41.55 21.45 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.933 1.693 . . . . 0.0 112.929 172.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -60.79 -31.04 70.43 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.424 1.089 . . . . 0.0 113.261 -169.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -70.39 -36.98 74.43 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.15 0.886 . . . . 0.0 113.135 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -74.32 -43.44 56.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.141 0.882 . . . . 0.0 111.356 170.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.32 -42.76 70.52 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.923 1.289 . . . . 0.0 111.717 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 112' ' ' LEU . 41.7 tt0 -65.89 -28.47 68.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 10.4 m -99.79 -31.33 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.453 1.101 . . . . 0.0 111.953 -173.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 64.5 m -56.04 -39.54 72.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.779 1.231 . . . . 0.0 111.098 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.17 72.71 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.663 0.785 . . . . 0.0 111.052 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 92.7 mt -65.53 -39.37 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 O-C-N 120.6 -1.313 . . . . 0.0 111.941 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 5.9 mt -57.46 -41.9 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.414 1.085 . . . . 0.0 110.678 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.3 -41.2 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 111.337 177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -54.43 -47.21 73.11 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.506 1.048 . . . . 0.0 111.586 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -72.21 -42.9 65.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.018 0.927 . . . . 0.0 111.86 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.77 85.17 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 173.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.78 -50.93 67.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.076 0.55 . . . . 0.0 112.121 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 33.1 mtm-85 -67.02 -28.0 67.87 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.281 -0.887 . . . . 0.0 112.615 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.65 -40.71 97.53 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.866 0.757 . . . . 0.0 110.82 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.94 -36.06 82.32 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.049 0.84 . . . . 0.0 112.937 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.07 -36.71 80.35 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.703 -1.248 . . . . 0.0 112.021 171.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.0 -35.42 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.896 -1.128 . . . . 0.0 112.009 170.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.89 -35.57 80.32 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.961 0.905 . . . . 0.0 112.614 172.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.12 -45.91 89.77 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.516 1.053 . . . . 0.0 111.369 169.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -82.81 5.91 20.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.227 1.811 . . . . 0.0 114.921 -172.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.14 141.72 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.162 0.985 . . . . 0.0 111.981 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 65.5 mttp -79.21 58.27 2.49 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.391 1.476 . . . . 0.0 112.696 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.633 1.573 . . . . 0.0 111.759 174.911 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -66.72 22.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 127.694 2.398 . . . . 0.0 117.041 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -83.56 141.48 31.55 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.414 -1.429 . . . . 0.0 112.581 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.17 151.8 24.28 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.283 1.433 . . . . 0.0 111.293 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -72.14 161.62 30.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.344 0.657 . . . . 0.0 111.108 169.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -60.96 -33.8 73.77 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.798 -1.189 . . . . 0.0 112.268 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.88 -44.93 75.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.941 0.896 . . . . 0.0 112.065 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.13 -45.98 91.18 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.323 0.649 . . . . 0.0 111.24 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.39 -46.35 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.092 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.12 76.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.661 1.118 . . . . 0.0 112.835 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.97 -45.2 86.69 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 111.568 173.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -65.04 -37.7 88.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.825 0.85 . . . . 0.0 112.441 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -57.23 -50.43 72.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.762 1.625 . . . . 0.0 111.171 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -65.02 -51.9 59.03 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.32 0.648 . . . . 0.0 111.836 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.29 72.43 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -72.65 -50.62 23.87 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.982 0.913 . . . . 0.0 111.443 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.7 t -61.49 -24.6 66.7 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.045 0.938 . . . . 0.0 112.643 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -56.62 -21.83 29.78 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.398 1.479 . . . . 0.0 113.927 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD2' HG22 ' A' ' 35' ' ' VAL . 61.1 m-85 -121.62 4.52 10.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.824 1.65 . . . . 0.0 113.312 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -68.8 109.55 3.91 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.366 -0.834 . . . . 0.0 110.386 175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -73.21 -19.58 61.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.99 1.716 . . . . 0.0 115.067 -175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.45 -17.8 8.66 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -171.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.43 85.45 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.561 1.076 . . . . 0.0 113.29 -169.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -89.21 -0.17 57.24 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.666 1.586 . . . . 0.0 113.912 -175.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.86 30.22 32.64 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.731 1.158 . . . . 0.0 113.855 -175.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -140.55 156.43 46.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.865 1.266 . . . . 0.0 113.319 -174.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.7 pt -131.33 170.96 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 126.938 2.095 . . . . 0.0 110.147 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 p -88.89 162.55 16.07 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.386 1.088 . . . . 0.0 113.385 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.2 p -59.57 -18.94 45.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.855 1.262 . . . . 0.0 112.846 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -43.21 57.99 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.355 1.062 . . . . 0.0 112.363 170.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.17 -17.25 57.06 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 48' ' ' LEU . 1.3 tt -46.25 -57.99 4.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.132 1.373 . . . . 0.0 111.912 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -29.11 74.09 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.511 -0.743 . . . . 0.0 113.245 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -69.34 -40.36 77.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.305 1.052 . . . . 0.0 111.551 173.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 19' ' ' PHE . 51.4 t -63.81 -41.71 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 124.604 1.161 . . . . 0.0 110.579 173.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.0 mtp -62.09 -42.99 99.77 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.208 -0.932 . . . . 0.0 112.532 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -64.24 -33.66 76.32 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.521 -0.737 . . . . 0.0 112.408 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 t -64.14 -34.97 79.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.267 1.027 . . . . 0.0 112.159 169.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 26.43 0.23 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.331 1.852 . . . . 0.0 114.27 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.26 15.88 70.54 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 169.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -138.2 127.0 23.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.708 1.203 . . . . 0.0 111.158 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.21 95.56 2.94 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.878 0.871 . . . . 0.0 110.818 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -64.41 150.2 88.68 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.533 2.822 . . . . 0.0 112.622 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.2 m -81.95 142.52 32.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.839 0.855 . . . . 0.0 109.967 169.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.32 -28.55 69.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.528 -1.357 . . . . 0.0 113.568 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -31.34 72.13 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.201 1.0 . . . . 0.0 113.083 172.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.81 -49.89 48.29 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.679 -0.638 . . . . 0.0 109.966 169.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 32' ' ' LEU . 30.1 mt -61.71 -39.06 90.18 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -175.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -61.32 -40.27 93.6 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.665 0.666 . . . . 0.0 111.64 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -69.2 -43.37 74.29 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.641 -0.662 . . . . 0.0 111.767 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.8 mtp -60.54 -39.85 89.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.544 1.138 . . . . 0.0 111.934 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.64 -32.45 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.939 0.896 . . . . 0.0 111.583 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -63.53 -30.56 71.66 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.923 1.692 . . . . 0.0 112.4 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.99 -51.65 15.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.909 0.777 . . . . 0.0 112.464 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.7 t -74.12 -45.42 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.644 1.177 . . . . 0.0 113.246 -171.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -102.33 56.08 0.79 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.935 1.694 . . . . 0.0 112.32 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.23 -23.35 63.98 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -83.11 -14.6 53.33 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.964 1.306 . . . . 0.0 114.168 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.39 27.94 73.51 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.256 0.932 . . . . 0.0 114.171 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -18.28 55.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.531 1.533 . . . . 0.0 114.489 -173.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.58 5.67 89.27 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.391 1.472 . . . . 0.0 116.251 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -126.94 159.19 34.75 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.998 1.899 . . . . 0.0 114.821 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mt -134.81 134.4 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 128.026 2.53 . . . . 0.0 108.84 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.65 157.11 18.15 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.276 0.631 . . . . 0.0 111.394 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -45.44 -53.07 19.85 Favored Pre-proline 0 CA--C 1.55 0.964 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.72 -27.13 27.04 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.811 1.674 . . . . 0.0 113.353 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.0 -29.18 61.82 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.173 -0.954 . . . . 0.0 111.899 174.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -69.43 -42.69 74.65 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.264 -0.898 . . . . 0.0 110.911 168.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.31 -26.45 68.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.87 -1.144 . . . . 0.0 112.284 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -35.81 70.16 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.115 1.366 . . . . 0.0 113.427 171.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.2 ptp -84.52 -40.39 17.68 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.043 1.292 . . . . 0.0 111.627 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.4 mmm -65.83 -39.77 91.16 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.331 0.514 . . . . 0.0 112.287 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.39 70.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.896 0.878 . . . . 0.0 112.958 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -81.53 -43.39 18.81 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.827 1.651 . . . . 0.0 111.971 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -65.42 -39.44 92.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.151 1.381 . . . . 0.0 112.715 176.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.3 mmm -61.0 -16.86 48.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.337 1.055 . . . . 0.0 113.286 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -118.34 23.06 11.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.651 1.98 . . . . 0.0 112.942 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -69.07 -12.14 61.42 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 172.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.8 m -106.17 136.39 45.97 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.88 2.072 . . . . 0.0 111.229 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -77.64 150.93 34.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.442 1.497 . . . . 0.0 113.859 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.3 t -158.26 156.55 30.89 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.457 1.903 . . . . 0.0 110.044 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -47.19 83.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.635 1.107 . . . . 0.0 113.744 -171.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -69.61 -29.58 67.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.441 -0.787 . . . . 0.0 112.198 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -75.06 -36.86 61.77 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.553 0.741 . . . . 0.0 112.134 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.66 -47.9 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.19 0.996 . . . . 0.0 109.587 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -56.42 -48.37 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.422 0.689 . . . . 0.0 112.492 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.7 -40.96 84.3 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.21 86.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.01 1.324 . . . . 0.0 112.751 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -64.34 -43.61 94.05 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.134 -0.978 . . . . 0.0 111.468 170.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -63.13 -22.44 66.86 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.2 -31.86 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.988 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.654 ' CZ ' HG21 ' A' ' 108' ' ' VAL . 14.8 m-85 -93.0 -16.58 24.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 175.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -57.29 129.22 40.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.548 1.139 . . . . 0.0 110.761 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.75 -40.56 88.55 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.702 1.601 . . . . 0.0 113.519 -169.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -150.97 3.81 0.46 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.83 8.42 45.47 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.27 1.414 . . . . 0.0 115.243 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -69.56 -3.29 14.19 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 119.441 1.621 . . . . 0.0 115.101 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.25 25.4 51.72 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-N 119.757 1.162 . . . . 0.0 113.023 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.24 166.32 28.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.237 1.415 . . . . 0.0 111.259 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.2 mt -133.17 136.23 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.889 1.675 . . . . 0.0 109.037 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 m -67.08 142.53 57.1 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.161 -1.587 . . . . 0.0 111.825 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.18 83.53 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.435 -0.791 . . . . 0.0 113.06 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.47 74.01 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 112.742 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -74.34 -43.5 56.37 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.647 0.779 . . . . 0.0 111.843 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.29 -40.14 86.07 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.91 0.777 . . . . 0.0 110.756 174.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -59.86 -40.99 90.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.899 0.772 . . . . 0.0 112.038 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -57.02 -63.41 1.22 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.897 0.771 . . . . 0.0 110.476 172.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.674 HG23 HD12 ' A' ' 112' ' ' LEU . 14.8 p -64.51 -37.87 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.089 0.859 . . . . 0.0 112.785 -171.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.3 mmt -69.11 -14.86 63.24 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.6 p -118.21 1.22 11.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.07 -41.35 5.6 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.323 1.849 . . . . 0.0 112.099 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.674 HD12 HG23 ' A' ' 108' ' ' VAL . 31.6 mt -125.5 144.52 50.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.339 1.456 . . . . 0.0 111.806 -168.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.17 -151.24 45.12 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 121.399 0.444 . . . . 0.0 114.165 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -77.62 52.13 0.97 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.066 1.746 . . . . 0.0 113.281 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -14.02 113.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 130.989 3.716 . . . . 0.0 114.998 -174.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.63 150.6 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.021 0.928 . . . . 0.0 112.144 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -70.13 159.21 34.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.879 0.871 . . . . 0.0 110.195 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.266 1.027 . . . . 0.0 113.694 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -74.84 -23.33 58.43 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.356 -0.84 . . . . 0.0 112.973 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -81.81 -41.1 21.57 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.615 1.566 . . . . 0.0 111.672 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -71.08 -33.42 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.305 0.642 . . . . 0.0 111.034 171.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.4 -40.71 93.78 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.36 -0.837 . . . . 0.0 111.789 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.76 -40.23 83.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.508 0.595 . . . . 0.0 111.229 171.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 ttm -58.99 -53.97 52.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 117.953 -1.022 . . . . 0.0 111.298 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.2 mm -60.04 -37.4 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 121.247 1.839 . . . . 0.0 111.322 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.16 -31.68 63.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.849 1.26 . . . . 0.0 113.969 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.41 -17.65 13.42 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.191 1.396 . . . . 0.0 114.553 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.558 ' HB1' HG13 ' A' ' 136' ' ' VAL . . . -87.6 -33.43 18.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.878 2.071 . . . . 0.0 113.4 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -67.26 128.55 36.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.314 1.046 . . . . 0.0 111.679 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 18.1 tt -69.22 -30.81 47.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.288 1.035 . . . . 0.0 113.698 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -148.83 -5.39 0.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.66 -0.09 59.38 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.557 1.551 . . . . 0.0 115.047 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.01 -7.32 56.72 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 119.338 1.569 . . . . 0.0 114.337 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.92 19.62 12.68 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.202 1.382 . . . . 0.0 114.978 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.58 104.32 11.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.842 1.321 . . . . 0.0 110.963 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.558 HG13 ' HB1' ' A' ' 128' ' ' ALA . 21.5 t -71.66 124.47 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.834 -0.541 . . . . 0.0 109.736 169.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -96.01 102.53 14.34 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.076 0.941 . . . . 0.0 110.215 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -71.72 -22.04 61.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.018 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -66.97 -37.82 84.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.0 1.273 . . . . 0.0 112.303 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -71.16 -41.35 70.52 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 110.952 168.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.45 -43.5 80.96 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.5 p -59.77 -43.19 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.299 -0.876 . . . . 0.0 110.903 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.36 -35.25 79.88 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.052 0.541 . . . . 0.0 111.988 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.3 ttp -69.12 -46.74 66.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.778 1.231 . . . . 0.0 112.75 173.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.62 -39.37 91.41 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.476 -0.765 . . . . 0.0 112.432 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.5 p -83.34 -0.4 49.59 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.56 163.99 10.27 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.553 1.141 . . . . 0.0 113.609 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.751 1.22 . . . . 0.0 111.584 173.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -79.6 14.02 1.94 Allowed 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 124.501 3.467 . . . . 0.0 114.978 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 119.33 -141.84 16.06 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.861 1.695 . . . . 0.0 112.888 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 99.3 p -69.23 170.86 9.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.743 1.217 . . . . 0.0 113.551 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -88.11 -107.4 0.07 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.42 1.088 . . . . 0.0 110.398 170.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -55.32 -40.95 71.77 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.757 1.623 . . . . 0.0 113.389 -168.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 90.3 mttt -47.73 -57.62 5.33 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.967 1.307 . . . . 0.0 112.199 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -85.91 -27.75 24.78 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -54.54 -43.58 72.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.672 1.123 . . . . 0.0 111.354 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -69.81 -22.26 63.32 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 2.8 m -104.02 -30.19 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.468 1.107 . . . . 0.0 112.952 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 72.9 m -56.3 -39.56 72.9 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.366 1.066 . . . . 0.0 109.875 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.15 88.95 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.382 0.673 . . . . 0.0 110.409 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.01 -37.84 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 121.007 -1.058 . . . . 0.0 112.266 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.17 -43.7 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 110.726 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.1 -39.09 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.516 1.126 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.77 -46.42 87.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.48 1.112 . . . . 0.0 111.571 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -59.51 -49.63 77.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 111.522 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.92 98.66 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.486 0.714 . . . . 0.0 112.156 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.7 t80 -66.7 -50.1 63.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.914 0.486 . . . . 0.0 112.149 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -66.88 -25.19 66.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -69.87 -46.2 66.02 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.121 0.873 . . . . 0.0 110.618 168.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 34.4 t80 -63.46 -31.02 72.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.578 1.151 . . . . 0.0 113.676 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.77 -28.04 54.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.849 1.26 . . . . 0.0 112.804 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 74.0 mt -76.9 -52.59 9.16 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.477 0.711 . . . . 0.0 110.198 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.54 -39.67 61.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.525 1.93 . . . . 0.0 113.781 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -1.96 14.5 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -122.13 -44.21 2.29 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.52 1.528 . . . . 0.0 113.175 170.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 16.5 m -144.84 139.88 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.639 1.575 . . . . 0.0 112.055 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -156.38 163.07 39.92 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.318 1.447 . . . . 0.0 112.266 174.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 59.4 tptt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.562 1.545 . . . . 0.0 112.365 178.598 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.569 0.223 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -84.62 3.48 36.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.244 1.417 . . . . 0.0 114.391 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.66 142.86 57.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.354 1.062 . . . . 0.0 112.073 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.83 146.13 33.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.528 0.68 . . . . 0.0 112.307 173.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -72.99 154.87 40.34 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.779 1.231 . . . . 0.0 110.02 172.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -54.26 -34.42 60.77 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.946 -1.096 . . . . 0.0 113.954 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.6 -41.37 75.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.053 0.941 . . . . 0.0 112.45 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.17 -45.12 93.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.891 0.877 . . . . 0.0 110.684 173.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.8 mt -61.11 -45.59 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 123.956 0.902 . . . . 0.0 110.764 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.03 -35.32 78.07 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.61 1.095 . . . . 0.0 113.086 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.52 -44.87 89.53 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.822 -1.174 . . . . 0.0 111.571 172.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -67.89 -32.47 72.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.664 0.786 . . . . 0.0 112.736 174.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.32 -47.58 85.41 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.413 1.485 . . . . 0.0 110.899 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.75 -33.51 76.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.18 63.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.861 0.755 . . . . 0.0 113.0 171.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -72.46 -45.57 58.9 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.389 -0.819 . . . . 0.0 112.911 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -62.49 -17.35 59.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.685 0.794 . . . . 0.0 113.119 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.67 -18.59 60.17 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.359 1.464 . . . . 0.0 113.9 172.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 35' ' ' VAL . 36.4 m-85 -129.24 3.57 5.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.657 1.583 . . . . 0.0 113.328 -178.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -74.16 65.07 1.12 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.285 1.834 . . . . 0.0 110.238 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -57.26 -19.37 21.24 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -166.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 p30 -118.72 0.18 11.41 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.878 1.271 . . . . 0.0 113.537 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 7.73 82.06 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.807 1.194 . . . . 0.0 115.812 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -77.22 -4.38 44.48 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.827 1.813 . . . . 0.0 114.036 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.84 28.81 20.15 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.436 1.017 . . . . 0.0 113.521 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -143.09 150.92 40.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.615 1.166 . . . . 0.0 113.142 -171.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.8 pt -124.29 168.35 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.361 1.865 . . . . 0.0 110.536 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -84.38 160.2 20.69 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.158 0.98 . . . . 0.0 112.953 170.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 p -61.59 -20.15 63.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 113.212 170.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -74.88 -46.77 33.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.154 0.888 . . . . 0.0 111.371 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.4 -22.3 62.76 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.589 1.156 . . . . 0.0 113.23 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.95 -61.36 1.31 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.511 1.524 . . . . 0.0 112.24 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.1 -23.61 71.42 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.506 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -70.23 -40.29 74.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.519 1.16 . . . . 0.0 111.102 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 19' ' ' PHE 0.295 1.8 m -72.23 -31.68 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 121.455 -0.778 . . . . 0.0 111.984 173.51 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtp -64.56 -45.52 86.72 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.508 1.049 . . . . 0.0 111.934 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -64.21 -27.57 69.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.581 0.752 . . . . 0.0 112.65 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -67.7 -25.17 65.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.912 0.885 . . . . 0.0 113.255 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.2 mt -85.87 1.32 50.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.588 1.555 . . . . 0.0 113.049 169.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.9 -3.44 79.86 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.294 1.426 . . . . 0.0 115.19 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -85.01 120.49 26.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.062 1.431 . . . . 0.0 109.738 172.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -107.53 84.1 1.77 Allowed Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.531 0.732 . . . . 0.0 110.832 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -66.87 151.56 82.07 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.147 2.565 . . . . 0.0 111.114 174.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 p -72.64 159.17 34.29 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.103 -0.998 . . . . 0.0 111.109 169.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -68.46 -27.16 65.91 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.277 -1.514 . . . . 0.0 112.671 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.28 -38.53 68.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.639 0.776 . . . . 0.0 112.3 169.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.24 -40.99 94.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.067 1.347 . . . . 0.0 111.825 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 mt -60.61 -48.17 82.96 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.002 0.921 . . . . 0.0 111.373 170.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.27 -39.31 78.91 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.202 0.601 . . . . 0.0 112.052 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.99 -44.61 84.34 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.773 0.829 . . . . 0.0 112.621 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.46 -35.9 82.3 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.153 -0.967 . . . . 0.0 112.577 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.0 mt -71.37 -31.21 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 121.208 -0.933 . . . . 0.0 111.483 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -64.68 -28.26 69.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 120.158 1.345 . . . . 0.0 112.639 172.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -75.8 -50.11 16.15 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.82 0.736 . . . . 0.0 112.165 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.2 t -75.49 -49.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -173.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -99.65 48.47 0.94 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 0.0 112.885 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.37 65.04 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -89.87 -3.11 58.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.819 1.248 . . . . 0.0 114.348 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 41.29 61.59 Favored Glycine 0 CA--C 1.538 1.472 0 O-C-N 121.049 -1.032 . . . . 0.0 115.057 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -76.29 -24.41 54.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.361 1.465 . . . . 0.0 113.165 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.81 14.63 78.2 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.621 1.581 . . . . 0.0 114.825 -172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.0 p -138.57 158.25 44.61 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.126 1.37 . . . . 0.0 113.523 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.91 136.25 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.916 2.086 . . . . 0.0 108.816 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.58 157.7 19.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.429 0.692 . . . . 0.0 111.661 172.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -47.74 -55.19 18.19 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.61 -21.95 28.86 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.938 1.759 . . . . 0.0 113.377 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -72.11 -40.65 68.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.745 0.702 . . . . 0.0 111.209 172.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.68 -41.5 90.8 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.515 -0.741 . . . . 0.0 111.97 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.01 -21.4 63.55 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -35.36 78.77 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.875 0.761 . . . . 0.0 113.008 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.0 ptp -85.45 -30.44 23.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.952 0.796 . . . . 0.0 112.484 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mmm -65.06 -31.58 72.86 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.631 -0.668 . . . . 0.0 111.953 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.39 81.66 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.462 0.705 . . . . 0.0 112.273 169.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -71.51 -40.41 70.16 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.062 1.345 . . . . 0.0 112.002 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -67.1 -3.23 6.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.742 1.617 . . . . 0.0 113.972 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.6 mtm -117.43 31.81 6.51 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 114.001 172.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -71.11 168.58 16.86 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.9 -1.125 . . . . 0.0 111.485 167.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -138.78 177.13 8.11 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.369 1.468 . . . . 0.0 112.091 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.261 44.7 p 55.32 -90.94 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 128.554 2.741 . . . . 0.0 114.244 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.27 -18.79 48.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.403 1.481 . . . . 0.0 113.464 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t 61.34 121.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.132 2.573 . . . . 0.0 116.12 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.07 -45.15 87.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.214 -0.929 . . . . 0.0 112.145 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -68.22 -32.66 73.03 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.186 -0.946 . . . . 0.0 112.797 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.94 -47.94 70.12 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.577 0.751 . . . . 0.0 111.254 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -60.47 -44.08 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.515 1.126 . . . . 0.0 110.381 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -59.99 -44.8 94.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.536 0.734 . . . . 0.0 112.346 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -71.87 -39.39 69.68 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.62 76.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.103 0.961 . . . . 0.0 112.628 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.34 -45.45 76.34 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.022 -1.049 . . . . 0.0 111.841 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -60.19 -26.4 66.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.0 t -60.57 -34.93 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.05 1.34 . . . . 0.0 112.382 169.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.47 -18.15 27.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.12 1.368 . . . . 0.0 114.184 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -58.7 120.11 8.34 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.479 1.111 . . . . 0.0 111.469 -175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -69.33 -32.36 71.41 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.667 1.587 . . . . 0.0 113.456 -172.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -122.52 -13.56 7.97 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.94 19.76 74.57 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.002 1.287 . . . . 0.0 113.47 -170.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -98.21 3.23 48.94 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.565 1.546 . . . . 0.0 114.786 -170.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.85 20.82 57.25 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 119.59 1.086 . . . . 0.0 114.13 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.68 164.44 31.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.92 1.288 . . . . 0.0 110.946 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mt -123.76 153.0 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.864 1.666 . . . . 0.0 109.227 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 m -76.0 139.9 41.72 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.329 -1.482 . . . . 0.0 111.142 172.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.25 83.44 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.067 -1.021 . . . . 0.0 112.835 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.99 -29.5 70.43 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 174.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -75.75 -44.87 39.56 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.364 -0.835 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' A' ' 108' ' ' VAL . 16.5 tp -68.13 -36.95 80.53 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.28 0.946 . . . . 0.0 111.139 173.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -63.32 -36.89 85.17 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.392 0.996 . . . . 0.0 112.039 170.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -60.7 -65.03 0.75 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.545 170.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 105' ' ' LEU . 4.0 m -56.67 -41.37 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 120.543 1.519 . . . . 0.0 112.413 -175.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.1 mmt -74.63 -11.34 60.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 p -119.59 -1.01 10.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.942 1.297 . . . . 0.0 113.756 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -107.6 -29.99 8.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.588 1.555 . . . . 0.0 113.516 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.41 143.79 50.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.645 1.178 . . . . 0.0 110.767 -168.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.02 -145.84 34.14 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 121.732 0.629 . . . . 0.0 114.289 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.21 -9.65 58.46 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.383 1.473 . . . . 0.0 114.738 -172.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm 54.55 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.102 2.561 . . . . 0.0 114.378 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.97 149.1 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.751 1.22 . . . . 0.0 112.064 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.4 171.83 10.54 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 122.131 0.967 . . . . 0.0 111.907 173.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -56.88 -48.99 76.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.689 1.996 . . . . 0.0 115.369 -174.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -81.77 -26.78 34.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.955 1.302 . . . . 0.0 112.321 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -44.73 77.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.058 1.343 . . . . 0.0 112.019 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.94 -30.73 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.271 0.628 . . . . 0.0 111.436 172.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.11 -38.77 82.62 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.02 -1.05 . . . . 0.0 112.078 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.56 -36.37 76.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.296 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.3 ttm -64.31 -49.34 72.15 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.821 0.849 . . . . 0.0 111.06 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.88 -45.26 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 119.343 0.974 . . . . 0.0 110.485 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -56.58 -36.91 69.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.817 1.247 . . . . 0.0 113.534 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -99.4 -23.31 15.18 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.58 -32.36 28.52 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 119.211 0.914 . . . . 0.0 113.162 174.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -76.71 65.01 2.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.574 1.55 . . . . 0.0 111.805 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 pt -63.12 -22.1 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.113 0.965 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -77.08 -17.47 58.69 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.588 1.155 . . . . 0.0 113.214 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.1 30.4 75.56 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.763 1.173 . . . . 0.0 113.313 -175.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -140.2 26.54 2.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.257 1.423 . . . . 0.0 113.174 -168.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.6 24.53 76.03 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 120.811 -1.181 . . . . 0.0 114.123 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -121.36 90.76 3.38 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.385 1.474 . . . . 0.0 108.996 -176.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 15.5 m -73.39 101.4 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.257 1.023 . . . . 0.0 110.252 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.34 87.22 6.16 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.908 0.861 . . . . 0.0 110.534 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 142' ' ' VAL . 5.1 p90 -59.66 -31.35 69.46 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.717 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.36 -40.06 95.16 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 121.054 1.752 . . . . 0.0 112.239 -174.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.69 -36.38 70.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.133 -0.979 . . . . 0.0 111.768 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.07 -40.37 94.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.473 1.109 . . . . 0.0 113.264 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 138' ' ' TYR . 2.6 t -59.42 -47.63 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 119.378 0.99 . . . . 0.0 109.454 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -38.6 91.51 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.321 -174.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.5 ttp -66.28 -50.16 64.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.938 1.295 . . . . 0.0 112.756 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.57 -45.12 95.11 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.013 0.824 . . . . 0.0 111.48 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.0 p -84.79 8.68 16.4 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.57 136.92 56.8 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.035 -1.041 . . . . 0.0 112.833 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.395 1.878 . . . . 0.0 111.863 -175.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 CA-C-O 119.885 -0.397 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -68.01 160.45 48.52 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.037 3.158 . . . . 0.0 112.907 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 177.84 -157.35 21.62 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.291 0.948 . . . . 0.0 113.763 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -157.33 177.2 11.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.884 1.674 . . . . 0.0 111.466 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -56.71 -24.91 52.68 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 173.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -53.25 -35.67 60.26 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.833 1.197 . . . . 0.0 113.483 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.33 -41.29 96.79 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.812 1.245 . . . . 0.0 112.94 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -83.28 -38.31 22.32 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.074 0.95 . . . . 0.0 112.053 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.25 -45.83 79.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.679 1.592 . . . . 0.0 111.776 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -65.8 -29.21 69.66 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 5.8 m -95.75 -29.49 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.294 1.038 . . . . 0.0 112.451 -176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 66.1 m -57.16 -41.05 78.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.369 1.068 . . . . 0.0 110.636 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.54 85.24 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.734 -0.603 . . . . 0.0 110.739 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 58.7 mt -62.75 -38.37 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.875 -1.141 . . . . 0.0 112.235 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1911 ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.86 -40.41 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.074 0.95 . . . . 0.0 110.742 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.65 -39.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.468 1.107 . . . . 0.0 111.479 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -56.88 -45.12 82.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.339 1.056 . . . . 0.0 111.378 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.2 -56.28 23.8 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.749 1.22 . . . . 0.0 111.215 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.51 75.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.63 -50.08 64.16 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 122.665 0.386 . . . . 0.0 111.979 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -65.96 -33.04 74.91 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.426 -0.796 . . . . 0.0 112.002 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -57.89 -41.18 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.812 1.245 . . . . 0.0 111.007 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.9 t80 -71.03 -39.71 72.16 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.49 -33.9 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.172 -0.955 . . . . 0.0 111.891 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.67 -49.08 77.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.991 0.916 . . . . 0.0 111.454 170.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.64 -35.83 73.14 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.611 0.764 . . . . 0.0 112.196 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -66.56 -48.57 69.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.946 0.899 . . . . 0.0 112.679 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 62.0 pttt -79.05 -27.24 43.11 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.8 t -65.86 141.08 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.287 1.035 . . . . 0.0 111.933 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -66.55 142.03 57.65 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.341 1.456 . . . . 0.0 112.451 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 16.5 pttm . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.88 2.072 . . . . 0.0 112.115 -171.572 . . . . . . . . 0 0 . 1 stop_ save_